(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;5-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

C149H250N38OS2 — CID 158183262

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;5-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
SMILESCC(C)c1cccc(N2CCN(C(C)C)CC2)c1.CC(C)c1ccnc(N2CCCN(C)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)c1cnc(N2CCN(C(C)C)CC2)s1.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.C14H24N4.4C13H22N4.2C13H23N3S.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;1-11(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;1-10(2)12-9-14-13(17-12)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;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;2*9-11H,5-8H2,1-4H3;3-4,9,12H,5-8H2,1-2H3/t;;;;2*11-;;;;;/m....10...../s1
InChIKeyFYVUFAFRPPGVFA-KYGRKHHFSA-N
MW2654.04 g/mol
LogP23.50
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;5-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

(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;5-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 (PubChem CID 158183262) has the molecular formula C149H250N38OS2 and a molecular weight of 2654.04 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;5-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.

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;5-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
PubChem CID158183262
Molecular FormulaC149H250N38OS2
Molecular Weight2654.04 g/mol
Exact Mass2652.01
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;5-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
SMILESCC(C)c1cccc(N2CCN(C(C)C)CC2)c1.CC(C)c1ccnc(N2CCCN(C)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)c1cnc(N2CCN(C(C)C)CC2)s1.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.C14H24N4.4C13H22N4.2C13H23N3S.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;1-11(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;1-10(2)12-9-14-13(17-12)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;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;2*9-11H,5-8H2,1-4H3;3-4,9,12H,5-8H2,1-2H3/t;;;;2*11-;;;;;/m....10...../s1
InChIKeyFYVUFAFRPPGVFA-KYGRKHHFSA-N
XLogP23.50
TPSA295.54 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds31
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002654.04
LogP ≤ 523.50
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;5-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 with MolForge

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Launch Full Analysis

Related Compounds

N-[6-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-3-pyridinyl]-4-[4-[3-[[(2,6-difluorophenyl)-ethyl-lambda4-sulfanylidene]amino]-4-fluorophenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 91303516
4-[3-[[(2,6-difluorophenyl)-ethyl-lambda4-sulfanylidene]amino]phenyl]-N-ethyl-5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 91523209
N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;2-cyclopropyl-6-(2-methylpropyl)pyridine;4-cyclopropyl-2-(2-methylpropyl)triazole;3,3-difluoro-1-(2-methylpropyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4,5-dimethyl-1-(2-methylpropyl)triazole;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(2-methylpropyl)pyridine;2-methyl-4-(2-methylpropyl)triazole;4-methyl-2-(2-methylpropyl)triazole;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)triazole;2-(2-methylpropyl)triazole
CID 158126927
(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
4-[4-[3-(Dimethylamino)phenyl]-2-(ethylamino)-1,3-thiazol-5-yl]-N-[6-(4-morpholinyl)-3-pyridinyl]-2-pyrimidinamine
CID 86656312
N-cyclobutyl-8-(5-phenylthieno[2,3-d]pyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-amine;5-pyridin-3-yl-4-[4-(2-pyrrolidin-1-ylethoxymethyl)piperidin-1-yl]thieno[2,3-d]pyrimidine
CID 89579899
4-[4-[3-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfanylamino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 144052723
4-[4-[3-[[(E)-(4-tert-butylphenyl)-ethylidene-lambda4-sulfanyl]amino]phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 144052743
4-[4-[5-[(2,6-difluorophenyl)sulfanylamino]-3-pyridinyl]-2-propan-2-yl-1,3-thiazol-5-yl]-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine;ethane
CID 144052773
N-[6-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-4-[4-[3-(phenylsulfanylamino)phenyl]-2-propan-2-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 144052809
Methane;2-(piperidin-1-ylmethyl)-6-propan-2-ylpyridine;4-(piperidin-1-ylmethyl)-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(6-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-yl-6-pyrrolidin-1-ylpyridine;4-propan-2-yl-2-pyrrolidin-1-ylpyridine;2-propan-2-yl-1,3-thiazole
CID 157229893
2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperazin-1-ylethyl)-1,3-thiazol-5-amine;2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-5-amine;2-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]ethanol;3-[[2-[2-(3,5-dimethylanilino)pyrimidin-4-yl]-1,3-thiazol-5-yl]amino]propan-1-ol
CID 157257959

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;5-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?
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;5-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 (CID 158183262) 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;5-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.
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;5-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?
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;5-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 is CC(C)c1cccc(N2CCN(C(C)C)CC2)c1.CC(C)c1ccnc(N2CCCN(C)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)c1cnc(N2CCN(C(C)C)CC2)s1.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;5-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?
The InChIKey is FYVUFAFRPPGVFA-KYGRKHHFSA-N. The full InChI is InChI=1S/C16H26N2.C15H23N3O.C15H25N3.C14H24N4.4C13H22N4.2C13H23N3S.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;1-11(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;1-10(2)12-9-14-13(17-12)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;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;2*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;5-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?
(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;5-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 has a molecular weight of 2654.04 g/mol, XLogP of 23.50, 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;5-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 is sourced from PubChem (CID 158183262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).