6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine

C83H92Cl2F2N26O — CID 157371015

IUPAC6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine
SMILESClc1ccccc1C1CCCN1c1cc(Nc2ccn(C3CCOCC3)n2)ncn1.Fc1c(Nc2cc(C3CC3)[nH]n2)ncnc1N1CCCCC1c1ccccc1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccccc2Cl)n1
InChIInChI=1S/C22H25ClN6O.C21H23FN6.C20H22ClN7.C20H22FN7/c23-18-5-2-1-4-17(18)19-6-3-10-28(19)22-14-21(24-15-25-22)26-20-7-11-29(27-20)16-8-12-30-13-9-16;22-19-20(25-18-12-16(26-27-18)14-9-10-14)23-13-24-21(19)28-11-5-4-8-17(28)15-6-2-1-3-7-15;21-14-5-2-1-4-13(14)16-6-3-9-28(16)19-11-17(24-20(22)25-19)23-18-10-15(26-27-18)12-7-8-12;21-14-7-5-13(6-8-14)16-2-1-9-28(16)19-11-17(24-20(22)25-19)23-18-10-15(26-27-18)12-3-4-12/h1-2,4-5,7,11,14-16,19H,3,6,8-10,12-13H2,(H,24,25,26,27);1-3,6-7,12-14,17H,4-5,8-11H2,(H2,23,24,25,26,27);1-2,4-5,10-12,16H,3,6-9H2,(H4,22,23,24,25,26,27);5-8,10-12,16H,1-4,9H2,(H4,22,23,24,25,26,27)
InChIKeyBJTMWCGZIQAGMC-UHFFFAOYSA-N
MW1578.73 g/mol
LogP17.74
Rot. Bonds20

About 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine

6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 157371015) has the molecular formula C83H92Cl2F2N26O and a molecular weight of 1578.73 g/mol. Its IUPAC name is 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine
PubChem CID157371015
Molecular FormulaC83H92Cl2F2N26O
Molecular Weight1578.73 g/mol
Exact Mass1576.73
IUPAC Name6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine
SMILESClc1ccccc1C1CCCN1c1cc(Nc2ccn(C3CCOCC3)n2)ncn1.Fc1c(Nc2cc(C3CC3)[nH]n2)ncnc1N1CCCCC1c1ccccc1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccccc2Cl)n1
InChIInChI=1S/C22H25ClN6O.C21H23FN6.C20H22ClN7.C20H22FN7/c23-18-5-2-1-4-17(18)19-6-3-10-28(19)22-14-21(24-15-25-22)26-20-7-11-29(27-20)16-8-12-30-13-9-16;22-19-20(25-18-12-16(26-27-18)14-9-10-14)23-13-24-21(19)28-11-5-4-8-17(28)15-6-2-1-3-7-15;21-14-5-2-1-4-13(14)16-6-3-9-28(16)19-11-17(24-20(22)25-19)23-18-10-15(26-27-18)12-7-8-12;21-14-7-5-13(6-8-14)16-2-1-9-28(16)19-11-17(24-20(22)25-19)23-18-10-15(26-27-18)12-3-4-12/h1-2,4-5,7,11,14-16,19H,3,6,8-10,12-13H2,(H,24,25,26,27);1-3,6-7,12-14,17H,4-5,8-11H2,(H2,23,24,25,26,27);1-2,4-5,10-12,16H,3,6-9H2,(H4,22,23,24,25,26,27);5-8,10-12,16H,1-4,9H2,(H4,22,23,24,25,26,27)
InChIKeyBJTMWCGZIQAGMC-UHFFFAOYSA-N
XLogP17.74
TPSA329.33 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001578.73
LogP ≤ 517.74
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-(6-chloro-2-cyclohexylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[5,6-dimethyl-2-(oxan-4-yl)pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 157381098
N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(4,5-dimethyl-6-phenyl-2-pyridinyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;molecular hydrogen
CID 158111940
N-[[5-(6-chloro-5-methyl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(5-chloro-3-pyridinyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;5-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]pyridine-3-carbonitrile;N-methyl-N-[[5-[6-(trifluoromethyl)-3-pyridinyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 158847252
6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(4-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 159980404
4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 160378578
4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;N-[4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]cyclohexyl]-1H-pyrazole-4-carboxamide;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 160689738
N-[6-(2-chlorophenyl)-3,4-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4,5-dimethyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(4,5-dimethyl-6-phenyl-2-pyridinyl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[5,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 160883410
4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N,N-bis(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-ethylcyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine;4-[[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine;4-[[4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]-5-fluoropyrimidin-2-yl]methyl]cyclohexan-1-amine;4-[[4-[2-(cyclopropylmethyl)-1-methylpyrrol-3-yl]-5-fluoropyrimidin-2-yl]methyl]-N-(1H-pyrazol-4-ylmethyl)cyclohexan-1-amine
CID 160928133
N-(6-chloro-2-cyclohexylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(2-cyclohexyl-5,6-dimethylpyrimidin-4-yl)-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-cyclohexyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[2-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[5,6-dimethyl-2-(oxan-4-yl)pyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;molecular hydrogen
CID 161345122
7-[1-[(3-aminophenyl)methyl]pyrazol-4-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-methyl-7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-amine;7-[1-[(2,5-dichlorophenyl)methyl]pyrazol-4-yl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 87835674
2-N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine;2-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-1,3,5-triazin-2-yl]amino]-2-(4-fluorophenyl)ethanol;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-2-N-methyl-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[1-(2,5-difluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-(2-methoxy-1-phenylethyl)-1,3,5-triazine-2,4-diamine;2-N-[1-(2,4-difluorophenyl)ethyl]-4-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)-1,3,5-triazine-2,4-diamine
CID 157261966
4-N-[1-(4-chlorophenyl)ethyl]-6-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[3-(4-fluorophenyl)oxetan-3-yl]pyrimidine-4,6-diamine;6-N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-N-[(4-fluorophenyl)-(oxolan-3-yl)methyl]pyrimidine-4,6-diamine
CID 157422878

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine (CID 157371015) is 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine is Clc1ccccc1C1CCCN1c1cc(Nc2ccn(C3CCOCC3)n2)ncn1.Fc1c(Nc2cc(C3CC3)[nH]n2)ncnc1N1CCCCC1c1ccccc1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccc(F)cc2)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccccc2Cl)n1.
What is the InChIKey of 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is BJTMWCGZIQAGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O.C21H23FN6.C20H22ClN7.C20H22FN7/c23-18-5-2-1-4-17(18)19-6-3-10-28(19)22-14-21(24-15-25-22)26-20-7-11-29(27-20)16-8-12-30-13-9-16;22-19-20(25-18-12-16(26-27-18)14-9-10-14)23-13-24-21(19)28-11-5-4-8-17(28)15-6-2-1-3-7-15;21-14-5-2-1-4-13(14)16-6-3-9-28(16)19-11-17(24-20(22)25-19)23-18-10-15(26-27-18)12-7-8-12;21-14-7-5-13(6-8-14)16-2-1-9-28(16)19-11-17(24-20(22)25-19)23-18-10-15(26-27-18)12-3-4-12/h1-2,4-5,7,11,14-16,19H,3,6,8-10,12-13H2,(H,24,25,26,27);1-3,6-7,12-14,17H,4-5,8-11H2,(H2,23,24,25,26,27);1-2,4-5,10-12,16H,3,6-9H2,(H4,22,23,24,25,26,27);5-8,10-12,16H,1-4,9H2,(H4,22,23,24,25,26,27).
What are the key properties of 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine?
6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 1578.73 g/mol, XLogP of 17.74, 20 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;6-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[1-(oxan-4-yl)pyrazol-3-yl]pyrimidin-4-amine;N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-6-(2-phenylpiperidin-1-yl)pyrimidin-4-amine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 157371015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).