N-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

C184H267F5N38O8S — CID 158449141

IUPACN-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCC(C)C1CCOCC1.CC(C)CNc1nccc(C(C)C)n1.CC(C)Nc1nccc(C(C)C)n1.CC(C)c1ccnc(C#N)c1.CC(C)c1ccnc(F)c1.CC(C)c1ccnc(NC2CCCC2)n1.CC(C)c1ccnc(NC2CCCCC2)n1.CC(C)c1ccnc(Nc2cccc(C(F)(F)F)c2)n1.CC(C)c1ccnc(Nc2cccc(F)c2)n1.CC(C)c1ccnc2c1C=CC2.CC(C)c1ccoc1.CC(C)c1cncs1.CNc1cccc(Nc2nccc(C(C)C)n2)c1.COCC(=O)C[C@H](C)CNc1nccc(C(C)C)n1.COCC(=O)N1CCC[C@@H](Nc2nccc(C(C)C)n2)C1.COCCNc1nccc(C(C)C)n1.COc1cc(C(C)C)ccn1
InChIInChI=1S/C15H24N4O2.C14H14F3N3.C14H18N4.C14H23N3O2.C13H14FN3.C13H21N3.C12H19N3.C11H19N3.C11H13N.C10H17N3O.C10H17N3.C9H10N2.C9H13NO.C8H10FN.C8H16O.C7H10O.C6H9NS/c1-11(2)13-6-7-16-15(18-13)17-12-5-4-8-19(9-12)14(20)10-21-3;1-9(2)12-6-7-18-13(20-12)19-11-5-3-4-10(8-11)14(15,16)17;1-10(2)13-7-8-16-14(18-13)17-12-6-4-5-11(9-12)15-3;1-10(2)13-5-6-15-14(17-13)16-8-11(3)7-12(18)9-19-4;1-9(2)12-6-7-15-13(17-12)16-11-5-3-4-10(14)8-11;1-10(2)12-8-9-14-13(16-12)15-11-6-4-3-5-7-11;1-9(2)11-7-8-13-12(15-11)14-10-5-3-4-6-10;1-8(2)7-13-11-12-6-5-10(14-11)9(3)4;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)9-4-5-11-10(13-9)12-6-7-14-3;1-7(2)9-5-6-11-10(13-9)12-8(3)4;1-7(2)8-3-4-11-9(5-8)6-10;1-7(2)8-4-5-10-9(6-8)11-3;1-6(2)7-3-4-10-8(9)5-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-8-6/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,16,17,18);3-9H,1-2H3,(H,18,19,20);4-10,15H,1-3H3,(H,16,17,18);5-6,10-11H,7-9H2,1-4H3,(H,15,16,17);3-9H,1-2H3,(H,15,16,17);8-11H,3-7H2,1-2H3,(H,14,15,16);7-10H,3-6H2,1-2H3,(H,13,14,15);5-6,8-9H,7H2,1-4H3,(H,12,13,14);3-4,6-8H,5H2,1-2H3;4-5,8H,6-7H2,1-3H3,(H,11,12,13);5-8H,1-4H3,(H,11,12,13);3-5,7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3/t12-;;;11-;;;;;;;;;;;;;/m1..0............./s1
InChIKeyHDTLQJFOWHBXHM-MVTMAQCVSA-N
MW3266.47 g/mol
LogP44.33
Rot. Bonds49

About N-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

N-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 158449141) has the molecular formula C184H267F5N38O8S and a molecular weight of 3266.47 g/mol. Its IUPAC name is N-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID158449141
Molecular FormulaC184H267F5N38O8S
Molecular Weight3266.47 g/mol
Exact Mass3264.13
IUPAC NameN-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESCC(C)C1CCOCC1.CC(C)CNc1nccc(C(C)C)n1.CC(C)Nc1nccc(C(C)C)n1.CC(C)c1ccnc(C#N)c1.CC(C)c1ccnc(F)c1.CC(C)c1ccnc(NC2CCCC2)n1.CC(C)c1ccnc(NC2CCCCC2)n1.CC(C)c1ccnc(Nc2cccc(C(F)(F)F)c2)n1.CC(C)c1ccnc(Nc2cccc(F)c2)n1.CC(C)c1ccnc2c1C=CC2.CC(C)c1ccoc1.CC(C)c1cncs1.CNc1cccc(Nc2nccc(C(C)C)n2)c1.COCC(=O)C[C@H](C)CNc1nccc(C(C)C)n1.COCC(=O)N1CCC[C@@H](Nc2nccc(C(C)C)n2)C1.COCCNc1nccc(C(C)C)n1.COc1cc(C(C)C)ccn1
InChIInChI=1S/C15H24N4O2.C14H14F3N3.C14H18N4.C14H23N3O2.C13H14FN3.C13H21N3.C12H19N3.C11H19N3.C11H13N.C10H17N3O.C10H17N3.C9H10N2.C9H13NO.C8H10FN.C8H16O.C7H10O.C6H9NS/c1-11(2)13-6-7-16-15(18-13)17-12-5-4-8-19(9-12)14(20)10-21-3;1-9(2)12-6-7-18-13(20-12)19-11-5-3-4-10(8-11)14(15,16)17;1-10(2)13-7-8-16-14(18-13)17-12-6-4-5-11(9-12)15-3;1-10(2)13-5-6-15-14(17-13)16-8-11(3)7-12(18)9-19-4;1-9(2)12-6-7-15-13(17-12)16-11-5-3-4-10(14)8-11;1-10(2)12-8-9-14-13(16-12)15-11-6-4-3-5-7-11;1-9(2)11-7-8-13-12(15-11)14-10-5-3-4-6-10;1-8(2)7-13-11-12-6-5-10(14-11)9(3)4;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)9-4-5-11-10(13-9)12-6-7-14-3;1-7(2)9-5-6-11-10(13-9)12-8(3)4;1-7(2)8-3-4-11-9(5-8)6-10;1-7(2)8-4-5-10-9(6-8)11-3;1-6(2)7-3-4-10-8(9)5-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-8-6/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,16,17,18);3-9H,1-2H3,(H,18,19,20);4-10,15H,1-3H3,(H,16,17,18);5-6,10-11H,7-9H2,1-4H3,(H,15,16,17);3-9H,1-2H3,(H,15,16,17);8-11H,3-7H2,1-2H3,(H,14,15,16);7-10H,3-6H2,1-2H3,(H,13,14,15);5-6,8-9H,7H2,1-4H3,(H,12,13,14);3-4,6-8H,5H2,1-2H3;4-5,8H,6-7H2,1-3H3,(H,11,12,13);5-8H,1-4H3,(H,11,12,13);3-5,7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3/t12-;;;11-;;;;;;;;;;;;;/m1..0............./s1
InChIKeyHDTLQJFOWHBXHM-MVTMAQCVSA-N
XLogP44.33
TPSA575.04 Ų
H-Bond Donors11
H-Bond Acceptors46
Rotatable Bonds49
Heavy Atoms236
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003266.47
LogP ≤ 544.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine with MolForge

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Related Compounds

3-chloro-4-propan-2-ylpyridine;N-(1-cyclopropylsulfonylpiperidin-4-yl)-4-propan-2-ylpyrimidin-2-amine;N-[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;N-(3-methoxyphenyl)-4-propan-2-ylpyrimidin-2-amine;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;3-propan-2-ylfuran;4-propan-2-yloxane;N-[2-[(4-propan-2-ylpyrimidin-2-yl)amino]ethyl]methanesulfonamide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1,3-thiazole
CID 160650084
1-[(3S)-3-(3-fluoroanilino)piperidin-1-yl]-2-methoxyethanone
CID 25370122
N-(2-methylpropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109297024
2-cyclohexyl-1-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 53140070
tert-butyl 3-[3-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 51064077
2-chloro-1-[(3S)-3-[3-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 146567789
1-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 53140068
N-(2-methoxyethyl)-1-[2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carbonyl]pyrrolidine-2-carboxamide
CID 42813279
1-[(3R)-3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 92610994
1-[3-(methylamino)piperidin-1-yl]-3-[3-(trifluoromethyl)phenyl]butan-1-one;hydrochloride
CID 119488101
2-methoxy-1-[(3R)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223657
2-methoxy-1-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]ethanone
CID 93223656

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 158449141) is N-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is CC(C)C1CCOCC1.CC(C)CNc1nccc(C(C)C)n1.CC(C)Nc1nccc(C(C)C)n1.CC(C)c1ccnc(C#N)c1.CC(C)c1ccnc(F)c1.CC(C)c1ccnc(NC2CCCC2)n1.CC(C)c1ccnc(NC2CCCCC2)n1.CC(C)c1ccnc(Nc2cccc(C(F)(F)F)c2)n1.CC(C)c1ccnc(Nc2cccc(F)c2)n1.CC(C)c1ccnc2c1C=CC2.CC(C)c1ccoc1.CC(C)c1cncs1.CNc1cccc(Nc2nccc(C(C)C)n2)c1.COCC(=O)C[C@H](C)CNc1nccc(C(C)C)n1.COCC(=O)N1CCC[C@@H](Nc2nccc(C(C)C)n2)C1.COCCNc1nccc(C(C)C)n1.COc1cc(C(C)C)ccn1.
What is the InChIKey of N-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is HDTLQJFOWHBXHM-MVTMAQCVSA-N. The full InChI is InChI=1S/C15H24N4O2.C14H14F3N3.C14H18N4.C14H23N3O2.C13H14FN3.C13H21N3.C12H19N3.C11H19N3.C11H13N.C10H17N3O.C10H17N3.C9H10N2.C9H13NO.C8H10FN.C8H16O.C7H10O.C6H9NS/c1-11(2)13-6-7-16-15(18-13)17-12-5-4-8-19(9-12)14(20)10-21-3;1-9(2)12-6-7-18-13(20-12)19-11-5-3-4-10(8-11)14(15,16)17;1-10(2)13-7-8-16-14(18-13)17-12-6-4-5-11(9-12)15-3;1-10(2)13-5-6-15-14(17-13)16-8-11(3)7-12(18)9-19-4;1-9(2)12-6-7-15-13(17-12)16-11-5-3-4-10(14)8-11;1-10(2)12-8-9-14-13(16-12)15-11-6-4-3-5-7-11;1-9(2)11-7-8-13-12(15-11)14-10-5-3-4-6-10;1-8(2)7-13-11-12-6-5-10(14-11)9(3)4;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)9-4-5-11-10(13-9)12-6-7-14-3;1-7(2)9-5-6-11-10(13-9)12-8(3)4;1-7(2)8-3-4-11-9(5-8)6-10;1-7(2)8-4-5-10-9(6-8)11-3;1-6(2)7-3-4-10-8(9)5-7;1-7(2)8-3-5-9-6-4-8;1-6(2)7-3-4-8-5-7;1-5(2)6-3-7-4-8-6/h6-7,11-12H,4-5,8-10H2,1-3H3,(H,16,17,18);3-9H,1-2H3,(H,18,19,20);4-10,15H,1-3H3,(H,16,17,18);5-6,10-11H,7-9H2,1-4H3,(H,15,16,17);3-9H,1-2H3,(H,15,16,17);8-11H,3-7H2,1-2H3,(H,14,15,16);7-10H,3-6H2,1-2H3,(H,13,14,15);5-6,8-9H,7H2,1-4H3,(H,12,13,14);3-4,6-8H,5H2,1-2H3;4-5,8H,6-7H2,1-3H3,(H,11,12,13);5-8H,1-4H3,(H,11,12,13);3-5,7H,1-2H3;4-7H,1-3H3;3-6H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3/t12-;;;11-;;;;;;;;;;;;;/m1..0............./s1.
What are the key properties of N-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine?
N-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 3266.47 g/mol, XLogP of 44.33, 49 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-propan-2-ylpyrimidin-2-amine;N-cyclopentyl-4-propan-2-ylpyrimidin-2-amine;N,4-di(propan-2-yl)pyrimidin-2-amine;N-(3-fluorophenyl)-4-propan-2-ylpyrimidin-2-amine;2-fluoro-4-propan-2-ylpyridine;N-(2-methoxyethyl)-4-propan-2-ylpyrimidin-2-amine;(4S)-1-methoxy-4-methyl-5-[(4-propan-2-ylpyrimidin-2-yl)amino]pentan-2-one;2-methoxy-4-propan-2-ylpyridine;2-methoxy-1-[(3R)-3-[(4-propan-2-ylpyrimidin-2-yl)amino]piperidin-1-yl]ethanone;1-N-methyl-3-N-(4-propan-2-ylpyrimidin-2-yl)benzene-1,3-diamine;N-(2-methylpropyl)-4-propan-2-ylpyrimidin-2-amine;4-propan-2-yl-7H-cyclopenta[b]pyridine;3-propan-2-ylfuran;4-propan-2-yloxane;4-propan-2-ylpyridine-2-carbonitrile;5-propan-2-yl-1,3-thiazole;4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158449141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).