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

C102H110Cl2F6N34 — CID 159980404

IUPAC6-[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
SMILESFc1c(Nc2cc(C3CC3)[nH]n2)ncnc1N1CCCCC1c1ccccc1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccc(Cl)cc2)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccc(F)cc2F)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccccc2C(F)(F)F)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccccc2Cl)n1
InChIInChI=1S/C21H22F3N7.C21H23FN6.2C20H22ClN7.C20H21F2N7/c22-21(23,24)14-5-2-1-4-13(14)16-6-3-9-31(16)19-11-17(27-20(25)28-19)26-18-10-15(29-30-18)12-7-8-12;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;21-14-7-5-13(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;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;21-12-5-6-13(14(22)8-12)16-2-1-7-29(16)19-10-17(25-20(23)26-19)24-18-9-15(27-28-18)11-3-4-11/h1-2,4-5,10-12,16H,3,6-9H2,(H4,25,26,27,28,29,30);1-3,6-7,12-14,17H,4-5,8-11H2,(H2,23,24,25,26,27);5-8,10-12,16H,1-4,9H2,(H4,22,23,24,25,26,27);1-2,4-5,10-12,16H,3,6-9H2,(H4,22,23,24,25,26,27);5-6,8-11,16H,1-4,7H2,(H4,23,24,25,26,27,28)
InChIKeyOFROIDJSFZORIZ-UHFFFAOYSA-N
MW1997.13 g/mol
LogP22.27
Rot. Bonds25

About 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

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 (PubChem CID 159980404) has the molecular formula C102H110Cl2F6N34 and a molecular weight of 1997.13 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-(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.

Molecular Properties

Compound Name6-[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
PubChem CID159980404
Molecular FormulaC102H110Cl2F6N34
Molecular Weight1997.13 g/mol
Exact Mass1994.89
IUPAC Name6-[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
SMILESFc1c(Nc2cc(C3CC3)[nH]n2)ncnc1N1CCCCC1c1ccccc1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccc(Cl)cc2)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccc(F)cc2F)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccccc2C(F)(F)F)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccccc2Cl)n1
InChIInChI=1S/C21H22F3N7.C21H23FN6.2C20H22ClN7.C20H21F2N7/c22-21(23,24)14-5-2-1-4-13(14)16-6-3-9-31(16)19-11-17(27-20(25)28-19)26-18-10-15(29-30-18)12-7-8-12;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;21-14-7-5-13(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;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;21-12-5-6-13(14(22)8-12)16-2-1-7-29(16)19-10-17(25-20(23)26-19)24-18-9-15(27-28-18)11-3-4-11/h1-2,4-5,10-12,16H,3,6-9H2,(H4,25,26,27,28,29,30);1-3,6-7,12-14,17H,4-5,8-11H2,(H2,23,24,25,26,27);5-8,10-12,16H,1-4,9H2,(H4,22,23,24,25,26,27);1-2,4-5,10-12,16H,3,6-9H2,(H4,22,23,24,25,26,27);5-6,8-11,16H,1-4,7H2,(H4,23,24,25,26,27,28)
InChIKeyOFROIDJSFZORIZ-UHFFFAOYSA-N
XLogP22.27
TPSA452.73 Ų
H-Bond Donors14
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001997.13
LogP ≤ 522.27
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1029

Analyze 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 with MolForge

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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-(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?
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-(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) is 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.
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-(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?
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-(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 is Fc1c(Nc2cc(C3CC3)[nH]n2)ncnc1N1CCCCC1c1ccccc1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccc(Cl)cc2)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccc(F)cc2F)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccccc2C(F)(F)F)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-(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?
The InChIKey is OFROIDJSFZORIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N7.C21H23FN6.2C20H22ClN7.C20H21F2N7/c22-21(23,24)14-5-2-1-4-13(14)16-6-3-9-31(16)19-11-17(27-20(25)28-19)26-18-10-15(29-30-18)12-7-8-12;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;21-14-7-5-13(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;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;21-12-5-6-13(14(22)8-12)16-2-1-7-29(16)19-10-17(25-20(23)26-19)24-18-9-15(27-28-18)11-3-4-11/h1-2,4-5,10-12,16H,3,6-9H2,(H4,25,26,27,28,29,30);1-3,6-7,12-14,17H,4-5,8-11H2,(H2,23,24,25,26,27);5-8,10-12,16H,1-4,9H2,(H4,22,23,24,25,26,27);1-2,4-5,10-12,16H,3,6-9H2,(H4,22,23,24,25,26,27);5-6,8-11,16H,1-4,7H2,(H4,23,24,25,26,27,28).
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-(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?
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 has a molecular weight of 1997.13 g/mol, XLogP of 22.27, 25 rotatable bonds, 14 hydrogen bond donors, and 29 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-(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 is sourced from PubChem (CID 159980404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).