(3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine

C150H248F3N39OS — CID 161299578

IUPAC(3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine
SMILESCC(C)c1cccc(N2CCN(C(C)C)CC2)c1.CC(C)c1ccnc(N2CCCN(C)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)C(F)(F)F)CC2)n1.CC(C)c1ccnc(N2CCNCC2)n1.CC(C)c1ccnc(N2CC[C@@H](N(C)C)C2)n1.CC(C)c1ccnc(N2CC[C@H](N(C)C)C2)n1.CC(C)c1cncc(N2CCN(C(C)C)CC2)c1.CC(C)c1cncc(N2CCN(C(C)C)CC2)n1.CC(C)c1cncc(N2CCN(C3COC3)CC2)c1.CC(C)c1csc(N2CCN(C(C)C)CC2)n1.CCN1CCN(c2nccc(C(C)C)n2)CC1
InChIInChI=1S/C16H26N2.C15H23N3O.C15H25N3.C14H21F3N4.C14H24N4.4C13H22N4.C13H23N3S.C11H18N4/c1-13(2)15-6-5-7-16(12-15)18-10-8-17(9-11-18)14(3)4;1-12(2)13-7-14(9-16-8-13)17-3-5-18(6-4-17)15-10-19-11-15;1-12(2)14-9-15(11-16-10-14)18-7-5-17(6-8-18)13(3)4;1-10(2)12-4-5-18-13(19-12)21-8-6-20(7-9-21)11(3)14(15,16)17;1-11(2)13-9-15-10-14(16-13)18-7-5-17(6-8-18)12(3)4;2*1-10(2)12-5-7-14-13(15-12)17-8-6-11(9-17)16(3)4;1-11(2)12-5-6-14-13(15-12)17-8-4-7-16(3)9-10-17;1-4-16-7-9-17(10-8-16)13-14-6-5-12(15-13)11(2)3;1-10(2)12-9-17-13(14-12)16-7-5-15(6-8-16)11(3)4;1-9(2)10-3-4-13-11(14-10)15-7-5-12-6-8-15/h5-7,12-14H,8-11H2,1-4H3;7-9,12,15H,3-6,10-11H2,1-2H3;9-13H,5-8H2,1-4H3;4-5,10-11H,6-9H2,1-3H3;9-12H,5-8H2,1-4H3;2*5,7,10-11H,6,8-9H2,1-4H3;2*5-6,11H,4,7-10H2,1-3H3;9-11H,5-8H2,1-4H3;3-4,9,12H,5-8H2,1-2H3/t;;;;;2*11-;;;;/m.....10..../s1
InChIKeyVHKRNMMTEANDCF-LPPUUKCWSA-N
MW2702.97 g/mol
LogP23.38
Rot. Bonds31

About (3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine

(3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine (PubChem CID 161299578) has the molecular formula C150H248F3N39OS and a molecular weight of 2702.97 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine
PubChem CID161299578
Molecular FormulaC150H248F3N39OS
Molecular Weight2702.97 g/mol
Exact Mass2701.02
IUPAC Name(3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine
SMILESCC(C)c1cccc(N2CCN(C(C)C)CC2)c1.CC(C)c1ccnc(N2CCCN(C)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)C(F)(F)F)CC2)n1.CC(C)c1ccnc(N2CCNCC2)n1.CC(C)c1ccnc(N2CC[C@@H](N(C)C)C2)n1.CC(C)c1ccnc(N2CC[C@H](N(C)C)C2)n1.CC(C)c1cncc(N2CCN(C(C)C)CC2)c1.CC(C)c1cncc(N2CCN(C(C)C)CC2)n1.CC(C)c1cncc(N2CCN(C3COC3)CC2)c1.CC(C)c1csc(N2CCN(C(C)C)CC2)n1.CCN1CCN(c2nccc(C(C)C)n2)CC1
InChIInChI=1S/C16H26N2.C15H23N3O.C15H25N3.C14H21F3N4.C14H24N4.4C13H22N4.C13H23N3S.C11H18N4/c1-13(2)15-6-5-7-16(12-15)18-10-8-17(9-11-18)14(3)4;1-12(2)13-7-14(9-16-8-13)17-3-5-18(6-4-17)15-10-19-11-15;1-12(2)14-9-15(11-16-10-14)18-7-5-17(6-8-18)13(3)4;1-10(2)12-4-5-18-13(19-12)21-8-6-20(7-9-21)11(3)14(15,16)17;1-11(2)13-9-15-10-14(16-13)18-7-5-17(6-8-18)12(3)4;2*1-10(2)12-5-7-14-13(15-12)17-8-6-11(9-17)16(3)4;1-11(2)12-5-6-14-13(15-12)17-8-4-7-16(3)9-10-17;1-4-16-7-9-17(10-8-16)13-14-6-5-12(15-13)11(2)3;1-10(2)12-9-17-13(14-12)16-7-5-15(6-8-16)11(3)4;1-9(2)10-3-4-13-11(14-10)15-7-5-12-6-8-15/h5-7,12-14H,8-11H2,1-4H3;7-9,12,15H,3-6,10-11H2,1-2H3;9-13H,5-8H2,1-4H3;4-5,10-11H,6-9H2,1-3H3;9-12H,5-8H2,1-4H3;2*5,7,10-11H,6,8-9H2,1-4H3;2*5-6,11H,4,7-10H2,1-3H3;9-11H,5-8H2,1-4H3;3-4,9,12H,5-8H2,1-2H3/t;;;;;2*11-;;;;/m.....10..../s1
InChIKeyVHKRNMMTEANDCF-LPPUUKCWSA-N
XLogP23.38
TPSA308.43 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds31
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002702.97
LogP ≤ 523.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Analyze (3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

6-[2-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 25073586
6-[4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-thiazol-2-yl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 25073587
2,6-difluoro-N-[2-fluoro-5-[2-(4-methylpiperazin-1-yl)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 58575785
4-[4-[5-[(2,6-difluorophenyl)sulfonylmethyl]-3-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 58575805
4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(5-fluoro-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 58575834
4-[4-[2-[(2,6-difluorophenyl)sulfonylmethyl]-4-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 58575903
2,6-difluoro-N-[2-fluoro-5-[2-(1-methylpiperidin-4-yl)-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 58575955
N-[6-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine
CID 59507631
2,6-difluoro-N-[2-fluoro-5-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyrrolidin-1-yl-1,3-thiazol-4-yl]phenyl]benzenesulfinamide
CID 70853938
2,6-difluoro-N-[3-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]cyclohexa-1,3-diene-1-sulfonamide
CID 70853971
4-[4-[3-[[(2,6-difluorophenyl)-methylidene-oxo-lambda6-sulfanyl]amino]phenyl]-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]-N-(4-methyl-6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 89035204
4-[4-(3-amino-4-fluorophenyl)-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 89410368

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of (3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine (CID 161299578) is (3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for (3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for (3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine is CC(C)c1cccc(N2CCN(C(C)C)CC2)c1.CC(C)c1ccnc(N2CCCN(C)CC2)n1.CC(C)c1ccnc(N2CCN(C(C)C(F)(F)F)CC2)n1.CC(C)c1ccnc(N2CCNCC2)n1.CC(C)c1ccnc(N2CC[C@@H](N(C)C)C2)n1.CC(C)c1ccnc(N2CC[C@H](N(C)C)C2)n1.CC(C)c1cncc(N2CCN(C(C)C)CC2)c1.CC(C)c1cncc(N2CCN(C(C)C)CC2)n1.CC(C)c1cncc(N2CCN(C3COC3)CC2)c1.CC(C)c1csc(N2CCN(C(C)C)CC2)n1.CCN1CCN(c2nccc(C(C)C)n2)CC1.
What is the InChIKey of (3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine?
The InChIKey is VHKRNMMTEANDCF-LPPUUKCWSA-N. The full InChI is InChI=1S/C16H26N2.C15H23N3O.C15H25N3.C14H21F3N4.C14H24N4.4C13H22N4.C13H23N3S.C11H18N4/c1-13(2)15-6-5-7-16(12-15)18-10-8-17(9-11-18)14(3)4;1-12(2)13-7-14(9-16-8-13)17-3-5-18(6-4-17)15-10-19-11-15;1-12(2)14-9-15(11-16-10-14)18-7-5-17(6-8-18)13(3)4;1-10(2)12-4-5-18-13(19-12)21-8-6-20(7-9-21)11(3)14(15,16)17;1-11(2)13-9-15-10-14(16-13)18-7-5-17(6-8-18)12(3)4;2*1-10(2)12-5-7-14-13(15-12)17-8-6-11(9-17)16(3)4;1-11(2)12-5-6-14-13(15-12)17-8-4-7-16(3)9-10-17;1-4-16-7-9-17(10-8-16)13-14-6-5-12(15-13)11(2)3;1-10(2)12-9-17-13(14-12)16-7-5-15(6-8-16)11(3)4;1-9(2)10-3-4-13-11(14-10)15-7-5-12-6-8-15/h5-7,12-14H,8-11H2,1-4H3;7-9,12,15H,3-6,10-11H2,1-2H3;9-13H,5-8H2,1-4H3;4-5,10-11H,6-9H2,1-3H3;9-12H,5-8H2,1-4H3;2*5,7,10-11H,6,8-9H2,1-4H3;2*5-6,11H,4,7-10H2,1-3H3;9-11H,5-8H2,1-4H3;3-4,9,12H,5-8H2,1-2H3/t;;;;;2*11-;;;;/m.....10..../s1.
What are the key properties of (3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine?
(3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine has a molecular weight of 2702.97 g/mol, XLogP of 23.38, 31 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;(3S)-N,N-dimethyl-1-(4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-amine;2-(4-ethylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-methyl-4-(4-propan-2-ylpyrimidin-2-yl)-1,4-diazepane;1-(oxetan-3-yl)-4-(5-propan-2-yl-3-pyridinyl)piperazine;2-piperazin-1-yl-4-propan-2-ylpyrimidine;1-propan-2-yl-4-(3-propan-2-ylphenyl)piperazine;2-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyrazine;4-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-propan-2-yl-4-(5-propan-2-yl-3-pyridinyl)piperazine;4-propan-2-yl-2-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 161299578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).