6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine

C76H82F8N24O — CID 158255459

IUPAC6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine
SMILESCC(Nc1cc(N(C)c2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(C3CC3)n(C)n2)ncn1)c1ccc(F)cc1F.Cc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)ncn2)nn1C.Cc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)ncn2)nn1C1CCOCC1
InChIInChI=1S/C21H24F2N6O.2C19H20F2N6.C17H18F2N6/c1-13-9-21(28-29(13)16-5-7-30-8-6-16)27-20-11-19(24-12-25-20)26-14(2)17-4-3-15(22)10-18(17)23;1-11(14-6-5-13(20)7-15(14)21)24-17-9-18(23-10-22-17)25-19-8-16(12-3-4-12)27(2)26-19;1-11(14-6-5-13(20)7-15(14)21)24-17-9-18(23-10-22-17)27(2)19-8-16(25-26-19)12-3-4-12;1-10-6-17(24-25(10)3)23-16-8-15(20-9-21-16)22-11(2)13-5-4-12(18)7-14(13)19/h3-4,9-12,14,16H,5-8H2,1-2H3,(H2,24,25,26,27,28);5-12H,3-4H2,1-2H3,(H2,22,23,24,25,26);5-12H,3-4H2,1-2H3,(H,25,26)(H,22,23,24);4-9,11H,1-3H3,(H2,20,21,22,23,24)
InChIKeyGHFPISUOGNYUSG-UHFFFAOYSA-N
MW1499.64 g/mol
LogP16.82
Rot. Bonds23

About 6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine

6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine (PubChem CID 158255459) has the molecular formula C76H82F8N24O and a molecular weight of 1499.64 g/mol. Its IUPAC name is 6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine
PubChem CID158255459
Molecular FormulaC76H82F8N24O
Molecular Weight1499.64 g/mol
Exact Mass1498.70
IUPAC Name6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine
SMILESCC(Nc1cc(N(C)c2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(C3CC3)n(C)n2)ncn1)c1ccc(F)cc1F.Cc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)ncn2)nn1C.Cc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)ncn2)nn1C1CCOCC1
InChIInChI=1S/C21H24F2N6O.2C19H20F2N6.C17H18F2N6/c1-13-9-21(28-29(13)16-5-7-30-8-6-16)27-20-11-19(24-12-25-20)26-14(2)17-4-3-15(22)10-18(17)23;1-11(14-6-5-13(20)7-15(14)21)24-17-9-18(23-10-22-17)25-19-8-16(12-3-4-12)27(2)26-19;1-11(14-6-5-13(20)7-15(14)21)24-17-9-18(23-10-22-17)27(2)19-8-16(25-26-19)12-3-4-12;1-10-6-17(24-25(10)3)23-16-8-15(20-9-21-16)22-11(2)13-5-4-12(18)7-14(13)19/h3-4,9-12,14,16H,5-8H2,1-2H3,(H2,24,25,26,27,28);5-12H,3-4H2,1-2H3,(H2,22,23,24,25,26);5-12H,3-4H2,1-2H3,(H,25,26)(H,22,23,24);4-9,11H,1-3H3,(H2,20,21,22,23,24)
InChIKeyGHFPISUOGNYUSG-UHFFFAOYSA-N
XLogP16.82
TPSA281.94 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001499.64
LogP ≤ 516.82
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine (CID 158255459) is 6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine is CC(Nc1cc(N(C)c2cc(C3CC3)[nH]n2)ncn1)c1ccc(F)cc1F.CC(Nc1cc(Nc2cc(C3CC3)n(C)n2)ncn1)c1ccc(F)cc1F.Cc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)ncn2)nn1C.Cc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)ncn2)nn1C1CCOCC1.
What is the InChIKey of 6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine?
The InChIKey is GHFPISUOGNYUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N6O.2C19H20F2N6.C17H18F2N6/c1-13-9-21(28-29(13)16-5-7-30-8-6-16)27-20-11-19(24-12-25-20)26-14(2)17-4-3-15(22)10-18(17)23;1-11(14-6-5-13(20)7-15(14)21)24-17-9-18(23-10-22-17)25-19-8-16(12-3-4-12)27(2)26-19;1-11(14-6-5-13(20)7-15(14)21)24-17-9-18(23-10-22-17)27(2)19-8-16(25-26-19)12-3-4-12;1-10-6-17(24-25(10)3)23-16-8-15(20-9-21-16)22-11(2)13-5-4-12(18)7-14(13)19/h3-4,9-12,14,16H,5-8H2,1-2H3,(H2,24,25,26,27,28);5-12H,3-4H2,1-2H3,(H2,22,23,24,25,26);5-12H,3-4H2,1-2H3,(H,25,26)(H,22,23,24);4-9,11H,1-3H3,(H2,20,21,22,23,24).
What are the key properties of 6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine?
6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine has a molecular weight of 1499.64 g/mol, XLogP of 16.82, 23 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-cyclopropyl-1-methylpyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-4,6-diamine;4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-N-[1-(2,4-difluorophenyl)ethyl]-4-N-methylpyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-4,6-diamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-methyl-1-(oxan-4-yl)pyrazol-3-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 158255459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).