3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine

C232H306Cl2F5N31O6 — CID 160636458

IUPAC3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
SMILESC=C(C)c1ccc(C(C)C)nc1.CC(C)N1Cc2c(F)cccc2C1=O.CC(C)N1Cc2cc(F)ccc2C1=O.CC(C)N1Cc2ccc(F)cc2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)c1ccc(-c2ccccc2)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncnc1.CC(C)c1nc2ccccc2o1.CC(C)c1ncc(C2CC2)cn1.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccn1.CCc1cnc(C(C)C)cn1.CCc1cnc(C(C)C)nc1.COc1cccnc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1cnc(C(C)C)nc1
InChIInChI=1S/C14H15N.3C11H12FNO.C11H13NO.C11H17N.C11H15N.C10H14N2.C10H11NO.2C9H14N2.C9H13NO.3C9H13N.2C8H10ClN.2C8H10FN.C8H12N2.3C8H11N.2C7H10N2/c1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)10-11-5-9(6-12-10)8-3-4-8;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-4-8-5-11-9(6-10-8)7(2)3;1-4-8-5-10-9(7(2)3)11-6-8;1-7(2)9-8(11-3)5-4-6-10-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-9-4-7(3)5-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-8-4-3-5-9-7/h3-11H,1-2H3;3*3-5,7H,6H2,1-2H3;3-6,8H,7H2,1-2H3;5-9H,1-4H3;5-7,9H,1H2,2-4H3;5-8H,3-4H2,1-2H3;3-7H,1-2H3;2*5-7H,4H2,1-3H3;4-7H,1-3H3;3*4-7H,1-3H3;4*3-6H,1-2H3;4-6H,1-3H3;3*3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyRIPFRORNFKMFGO-UHFFFAOYSA-N
MW3791.11 g/mol
LogP60.69
Rot. Bonds32

About 3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine

3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine (PubChem CID 160636458) has the molecular formula C232H306Cl2F5N31O6 and a molecular weight of 3791.11 g/mol. Its IUPAC name is 3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
PubChem CID160636458
Molecular FormulaC232H306Cl2F5N31O6
Molecular Weight3791.11 g/mol
Exact Mass3787.39
IUPAC Name3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
SMILESC=C(C)c1ccc(C(C)C)nc1.CC(C)N1Cc2c(F)cccc2C1=O.CC(C)N1Cc2cc(F)ccc2C1=O.CC(C)N1Cc2ccc(F)cc2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)c1ccc(-c2ccccc2)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncnc1.CC(C)c1nc2ccccc2o1.CC(C)c1ncc(C2CC2)cn1.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccn1.CCc1cnc(C(C)C)cn1.CCc1cnc(C(C)C)nc1.COc1cccnc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1cnc(C(C)C)nc1
InChIInChI=1S/C14H15N.3C11H12FNO.C11H13NO.C11H17N.C11H15N.C10H14N2.C10H11NO.2C9H14N2.C9H13NO.3C9H13N.2C8H10ClN.2C8H10FN.C8H12N2.3C8H11N.2C7H10N2/c1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)10-11-5-9(6-12-10)8-3-4-8;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-4-8-5-11-9(6-10-8)7(2)3;1-4-8-5-10-9(7(2)3)11-6-8;1-7(2)9-8(11-3)5-4-6-10-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-9-4-7(3)5-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-8-4-3-5-9-7/h3-11H,1-2H3;3*3-5,7H,6H2,1-2H3;3-6,8H,7H2,1-2H3;5-9H,1-4H3;5-7,9H,1H2,2-4H3;5-8H,3-4H2,1-2H3;3-7H,1-2H3;2*5-7H,4H2,1-3H3;4-7H,1-3H3;3*4-7H,1-3H3;4*3-6H,1-2H3;4-6H,1-3H3;3*3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyRIPFRORNFKMFGO-UHFFFAOYSA-N
XLogP60.69
TPSA451.64 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds32
Heavy Atoms276
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003791.11
LogP ≤ 560.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine with MolForge

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Related Compounds

[2-[[(6-Chloro-1,3-benzoxazol-2-yl)amino]methyl]-3-[[2-[4-fluoro-2-[2-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidine-1-carbonyl]phenyl]pyrimidin-4-yl]methyl]piperidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 123230403
[2-[[(5-Chloro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[2-[4-[2-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methyl-1-(4-methyl-2-pyrimidin-2-ylbenzoyl)piperidin-4-yl]pyrimidin-2-yl]-4-methylphenyl]methanone
CID 123823950
[3-[[2-[2-[2-[(1,3-Benzoxazol-2-ylamino)methyl]-3-methylpiperidine-1-carbonyl]-3-fluoro-4-methylphenyl]pyrimidin-4-yl]methyl]-2-[[(5-chloro-1,3-benzoxazol-2-yl)amino]methyl]piperidin-1-yl]-(2-fluoro-3-methyl-6-pyrimidin-2-ylphenyl)methanone
CID 123916953
[2-[4-[2-[[(6-Chloro-1,3-benzoxazol-2-yl)amino]methyl]-1-(3-fluoro-4-methyl-2-pyrimidin-2-ylbenzoyl)-3-methylpiperidin-4-yl]pyrimidin-2-yl]-3-fluoro-4-methylphenyl]-[2-[[(5-chloro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]methanone
CID 123924562
[(2S,3S)-2-[[(6-chloro-1,3-benzoxazol-2-yl)amino]methyl]-3-[[2-[4-fluoro-2-[(2S,3R)-2-[[(5-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidine-1-carbonyl]phenyl]pyrimidin-4-yl]methyl]piperidin-1-yl]-(5-fluoro-2-pyrimidin-2-ylphenyl)methanone
CID 144902921
[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-(4-fluoro-2-pyrimidin-2-ylphenyl)methanone;[4-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
CID 157599893
2-[2-(4-Chlorophenyl)-3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[2-(4-chlorophenyl)-6-methoxyimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridin-4-ylmethanone;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 157665550
4-(5-chloro-2-methylphenyl)-N-(cyclopropylmethyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide;1-[(2-chlorophenyl)methyl]-N-(cyclopropylmethyl)-N-(4-methylphenyl)pyrrolidine-3-carboxamide;N-(cyclopropylmethyl)-4-(3,5-dichloro-2-pyridinyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide;N-(cyclopropylmethyl)-4-(2-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide;N-(cyclopropylmethyl)-N-(4-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide;2-[4-(2-methylphenyl)piperazin-1-yl]-1,3-benzoxazole
CID 158069795
[(2S,3R)-3-[(5-chloro-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]methanone;[(2S,3R)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 158322014
(3-Chloro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(1,3-oxazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-methyl-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 159230784
CID 159377111
CID 159377111
1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159470995

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The IUPAC name of 3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine (CID 160636458) is 3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine.
What is the SMILES notation for 3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The canonical SMILES for 3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine is C=C(C)c1ccc(C(C)C)nc1.CC(C)N1Cc2c(F)cccc2C1=O.CC(C)N1Cc2cc(F)ccc2C1=O.CC(C)N1Cc2ccc(F)cc2C1=O.CC(C)N1Cc2ccccc2C1=O.CC(C)c1ccc(-c2ccccc2)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc(F)cn1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncnc1.CC(C)c1nc2ccccc2o1.CC(C)c1ncc(C2CC2)cn1.CC(C)c1ncccc1Cl.CC(C)c1ncccc1F.CC(C)c1ncccn1.CCc1cnc(C(C)C)cn1.CCc1cnc(C(C)C)nc1.COc1cccnc1C(C)C.Cc1ccc(C(C)C)cn1.Cc1ccc(C(C)C)nc1.Cc1cccc(C(C)C)n1.Cc1cnc(C(C)C)nc1.
What is the InChIKey of 3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
The InChIKey is RIPFRORNFKMFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.3C11H12FNO.C11H13NO.C11H17N.C11H15N.C10H14N2.C10H11NO.2C9H14N2.C9H13NO.3C9H13N.2C8H10ClN.2C8H10FN.C8H12N2.3C8H11N.2C7H10N2/c1-11(2)13-8-9-14(15-10-13)12-6-4-3-5-7-12;1-7(2)13-6-8-5-9(12)3-4-10(8)11(13)14;1-7(2)13-6-8-3-4-9(12)5-10(8)11(13)14;1-7(2)13-6-9-8(11(13)14)4-3-5-10(9)12;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)10-11-5-9(6-12-10)8-3-4-8;1-7(2)10-11-8-5-3-4-6-9(8)12-10;1-4-8-5-11-9(6-10-8)7(2)3;1-4-8-5-10-9(7(2)3)11-6-8;1-7(2)9-8(11-3)5-4-6-10-9;1-7(2)9-5-4-8(3)10-6-9;1-7(2)9-5-4-8(3)6-10-9;1-7(2)9-6-4-5-8(3)10-9;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-4-3-7(9)5-10-8;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-9-4-7(3)5-10-8;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-8-4-3-5-9-7/h3-11H,1-2H3;3*3-5,7H,6H2,1-2H3;3-6,8H,7H2,1-2H3;5-9H,1-4H3;5-7,9H,1H2,2-4H3;5-8H,3-4H2,1-2H3;3-7H,1-2H3;2*5-7H,4H2,1-3H3;4-7H,1-3H3;3*4-7H,1-3H3;4*3-6H,1-2H3;4-6H,1-3H3;3*3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of 3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine?
3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine has a molecular weight of 3791.11 g/mol, XLogP of 60.69, 32 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-cyclopropyl-2-propan-2-ylpyrimidine;2,5-di(propan-2-yl)pyridine;2-ethyl-5-propan-2-ylpyrazine;5-ethyl-2-propan-2-ylpyrimidine;4-fluoro-2-propan-2-yl-3H-isoindol-1-one;5-fluoro-2-propan-2-yl-3H-isoindol-1-one;6-fluoro-2-propan-2-yl-3H-isoindol-1-one;3-fluoro-2-propan-2-ylpyridine;5-fluoro-2-propan-2-ylpyridine;3-methoxy-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyrimidine;2-phenyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-3H-isoindol-1-one;2-propan-2-yl-5-prop-1-en-2-ylpyridine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine is sourced from PubChem (CID 160636458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).