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

C85H95ClF4N28 — CID 160801678

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

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;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine (PubChem CID 160801678) has the molecular formula C85H95ClF4N28 and a molecular weight of 1620.34 g/mol. Its IUPAC name is 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;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 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;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
• PubChem CID: 160801678
• Molecular Formula: C85H95ClF4N28
• Molecular Weight: 1620.34 g/mol
• Exact Mass: 1618.79
• IUPAC Name: 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;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine
• SMILES: CN1CCN(c2ccc(Nc3ncnc(N4CCCC4c4ccc(F)cc4)c3F)nc2)CC1.Cc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)nc(N)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccc(Cl)cc2)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccc(F)cc2F)n1
• InChI: InChI=1S/C24H27F2N7.C21H25N7.C20H22ClN7.C20H21F2N7/c1-31-11-13-32(14-12-31)19-8-9-21(27-15-19)30-23-22(26)24(29-16-28-23)33-10-2-3-20(33)17-4-6-18(25)7-5-17;1-13-5-2-3-6-15(13)17-7-4-10-28(17)20-12-18(24-21(22)25-20)23-19-11-16(26-27-19)14-8-9-14;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;21-12-5-6-13(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/h4-9,15-16,20H,2-3,10-14H2,1H3,(H,27,28,29,30);2-3,5-6,11-12,14,17H,4,7-10H2,1H3,(H4,22,23,24,25,26,27);5-8,10-12,16H,1-4,9H2,(H4,22,23,24,25,26,27);5-6,8-11,16H,1-4,7H2,(H4,23,24,25,26,27,28)
• InChIKey: SDDPTWJIXOLZMC-UHFFFAOYSA-N
• XLogP: 16.46
• TPSA: 347.67 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1620.34
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 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;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine?

The IUPAC name of 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;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine (CID 160801678) is 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;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine.

What is the SMILES notation for 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;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine?

The canonical SMILES for 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;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine is CN1CCN(c2ccc(Nc3ncnc(N4CCCC4c4ccc(F)cc4)c3F)nc2)CC1.Cc1ccccc1C1CCCN1c1cc(Nc2cc(C3CC3)[nH]n2)nc(N)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccc(Cl)cc2)n1.Nc1nc(Nc2cc(C3CC3)[nH]n2)cc(N2CCCC2c2ccc(F)cc2F)n1.

What is the InChIKey of 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;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine?

The InChIKey is SDDPTWJIXOLZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N7.C21H25N7.C20H22ClN7.C20H21F2N7/c1-31-11-13-32(14-12-31)19-8-9-21(27-15-19)30-23-22(26)24(29-16-28-23)33-10-2-3-20(33)17-4-6-18(25)7-5-17;1-13-5-2-3-6-15(13)17-7-4-10-28(17)20-12-18(24-21(22)25-20)23-19-11-16(26-27-19)14-8-9-14;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;21-12-5-6-13(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/h4-9,15-16,20H,2-3,10-14H2,1H3,(H,27,28,29,30);2-3,5-6,11-12,14,17H,4,7-10H2,1H3,(H4,22,23,24,25,26,27);5-8,10-12,16H,1-4,9H2,(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-(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;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine?

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;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 1620.34 g/mol, XLogP of 16.46, 20 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 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;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-[2-(2-methylphenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine;5-fluoro-6-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 160801678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).