6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine

C71H78F8N28 — CID 158465179

IUPAC6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine
SMILESC/C=C/c1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1.CC(C)c1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1.CC(Nc1cc(Nc2cc(C3CCC3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.Cc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1
InChIInChI=1S/C19H21F2N7.C18H21F2N7.C18H19F2N7.C16H17F2N7/c1-10(13-6-5-12(20)7-14(13)21)23-16-9-17(26-19(22)25-16)24-18-8-15(27-28-18)11-3-2-4-11;1-9(2)14-7-17(27-26-14)23-16-8-15(24-18(21)25-16)22-10(3)12-5-4-11(19)6-13(12)20;1-3-4-12-8-17(27-26-12)23-16-9-15(24-18(21)25-16)22-10(2)13-6-5-11(19)7-14(13)20;1-8-5-15(25-24-8)21-14-7-13(22-16(19)23-14)20-9(2)11-4-3-10(17)6-12(11)18/h5-11H,2-4H2,1H3,(H5,22,23,24,25,26,27,28);4-10H,1-3H3,(H5,21,22,23,24,25,26,27);3-10H,1-2H3,(H5,21,22,23,24,25,26,27);3-7,9H,1-2H3,(H5,19,20,21,22,23,24,25)/b;;4-3+;
InChIKeyHFQXDZCBTGZVGS-NKZKMTPJSA-N
MW1475.58 g/mol
LogP15.64
Rot. Bonds23

About 6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine

6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine (PubChem CID 158465179) has the molecular formula C71H78F8N28 and a molecular weight of 1475.58 g/mol. Its IUPAC name is 6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine
PubChem CID158465179
Molecular FormulaC71H78F8N28
Molecular Weight1475.58 g/mol
Exact Mass1474.68
IUPAC Name6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine
SMILESC/C=C/c1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1.CC(C)c1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1.CC(Nc1cc(Nc2cc(C3CCC3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.Cc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1
InChIInChI=1S/C19H21F2N7.C18H21F2N7.C18H19F2N7.C16H17F2N7/c1-10(13-6-5-12(20)7-14(13)21)23-16-9-17(26-19(22)25-16)24-18-8-15(27-28-18)11-3-2-4-11;1-9(2)14-7-17(27-26-14)23-16-8-15(24-18(21)25-16)22-10(3)12-5-4-11(19)6-13(12)20;1-3-4-12-8-17(27-26-12)23-16-9-15(24-18(21)25-16)22-10(2)13-6-5-11(19)7-14(13)20;1-8-5-15(25-24-8)21-14-7-13(22-16(19)23-14)20-9(2)11-4-3-10(17)6-12(11)18/h5-11H,2-4H2,1H3,(H5,22,23,24,25,26,27,28);4-10H,1-3H3,(H5,21,22,23,24,25,26,27);3-10H,1-2H3,(H5,21,22,23,24,25,26,27);3-7,9H,1-2H3,(H5,19,20,21,22,23,24,25)/b;;4-3+;
InChIKeyHFQXDZCBTGZVGS-NKZKMTPJSA-N
XLogP15.64
TPSA418.16 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001475.58
LogP ≤ 515.64
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Analyze 6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine with MolForge

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Related Compounds

4-N-(5-cyclobutyl-1H-pyrazol-3-yl)-6-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]pyrimidine-2,4-diamine
CID 145745041
4-N-[1-(2,4-difluorophenyl)ethyl]-2-methyl-6-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyrimidine-4,6-diamine
CID 145745453
6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine
CID 145745594
4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine
CID 145745663
2,4-bis[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]pentan-3-one
CID 150208361
2,4-bis[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]pentan-3-one
CID 150365957
2-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine;N-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen;N-phenyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 157150461
2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine;N-[2-cyclohexyl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine;N-[2-piperidin-4-yl-6-[2-(trifluoromethyl)phenyl]-4-pyridinyl]-1H-indazol-3-amine
CID 157392101
3-[3-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 158186576
N-[6-cyclohexyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine;N-(5,7-difluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine;N-(7-fluoro-1H-indazol-3-yl)-2-[2-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-4-amine;N-[6-(2-fluorophenyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1H-indazol-3-amine
CID 158349149
N-(5-cyclopentyl-1H-pyrazol-3-yl)-6-methyl-2-(4-methylphenyl)pyrimidin-4-amine;5,6-dimethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine
CID 158352473
2-cyclopropyl-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3,5-difluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;2-(1,1-difluoroethyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;bis(2-(1,1-difluoropropyl)-5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine);5-methyl-N-(4-methylphenyl)-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 158645531

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine (CID 158465179) is 6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine is C/C=C/c1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1.CC(C)c1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1.CC(Nc1cc(Nc2cc(C3CCC3)[nH]n2)nc(N)n1)c1ccc(F)cc1F.Cc1cc(Nc2cc(NC(C)c3ccc(F)cc3F)nc(N)n2)n[nH]1.
What is the InChIKey of 6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine?
The InChIKey is HFQXDZCBTGZVGS-NKZKMTPJSA-N. The full InChI is InChI=1S/C19H21F2N7.C18H21F2N7.C18H19F2N7.C16H17F2N7/c1-10(13-6-5-12(20)7-14(13)21)23-16-9-17(26-19(22)25-16)24-18-8-15(27-28-18)11-3-2-4-11;1-9(2)14-7-17(27-26-14)23-16-8-15(24-18(21)25-16)22-10(3)12-5-4-11(19)6-13(12)20;1-3-4-12-8-17(27-26-12)23-16-9-15(24-18(21)25-16)22-10(2)13-6-5-11(19)7-14(13)20;1-8-5-15(25-24-8)21-14-7-13(22-16(19)23-14)20-9(2)11-4-3-10(17)6-12(11)18/h5-11H,2-4H2,1H3,(H5,22,23,24,25,26,27,28);4-10H,1-3H3,(H5,21,22,23,24,25,26,27);3-10H,1-2H3,(H5,21,22,23,24,25,26,27);3-7,9H,1-2H3,(H5,19,20,21,22,23,24,25)/b;;4-3+;.
What are the key properties of 6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine?
6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine has a molecular weight of 1475.58 g/mol, XLogP of 15.64, 23 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-cyclobutyl-1H-pyrazol-3-yl)-4-N-[1-(2,4-difluorophenyl)ethyl]pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrimidine-2,4,6-triamine;4-N-[1-(2,4-difluorophenyl)ethyl]-6-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 158465179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).