2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C76H59ClF6N20O3 — CID 159921705

IUPAC2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(-c2ccc(C(F)(F)F)cc2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(-c2ccc(C(F)(F)F)cc2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(-c2ccc(Cl)cc2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H16F3N5.C19H14F3N5O.C18H14ClN5O.C18H15N5O/c1-13-11-18(26-19-12-17(28-29-19)14-5-3-2-4-6-14)27-20(25-13)15-7-9-16(10-8-15)21(22,23)24;1-11-9-16(24-17-10-14(26-27-17)15-3-2-8-28-15)25-18(23-11)12-4-6-13(7-5-12)19(20,21)22;1-11-9-16(22-18(20-11)12-4-6-13(19)7-5-12)21-17-10-14(23-24-17)15-3-2-8-25-15;1-12-10-16(21-18(19-12)13-6-3-2-4-7-13)20-17-11-14(22-23-17)15-8-5-9-24-15/h2-12H,1H3,(H2,25,26,27,28,29);2-10H,1H3,(H2,23,24,25,26,27);2-10H,1H3,(H2,20,21,22,23,24);2-11H,1H3,(H2,19,20,21,22,23)
InChIKeyNYMFWHQPBIOZNJ-UHFFFAOYSA-N
MW1449.89 g/mol
LogP19.81
Rot. Bonds16

About 2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 159921705) has the molecular formula C76H59ClF6N20O3 and a molecular weight of 1449.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID159921705
Molecular FormulaC76H59ClF6N20O3
Molecular Weight1449.89 g/mol
Exact Mass1448.47
IUPAC Name2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(-c2ccc(C(F)(F)F)cc2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(-c2ccc(C(F)(F)F)cc2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(-c2ccc(Cl)cc2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H16F3N5.C19H14F3N5O.C18H14ClN5O.C18H15N5O/c1-13-11-18(26-19-12-17(28-29-19)14-5-3-2-4-6-14)27-20(25-13)15-7-9-16(10-8-15)21(22,23)24;1-11-9-16(24-17-10-14(26-27-17)15-3-2-8-28-15)25-18(23-11)12-4-6-13(7-5-12)19(20,21)22;1-11-9-16(22-18(20-11)12-4-6-13(19)7-5-12)21-17-10-14(23-24-17)15-3-2-8-25-15;1-12-10-16(21-18(19-12)13-6-3-2-4-7-13)20-17-11-14(22-23-17)15-8-5-9-24-15/h2-12H,1H3,(H2,25,26,27,28,29);2-10H,1H3,(H2,23,24,25,26,27);2-10H,1H3,(H2,20,21,22,23,24);2-11H,1H3,(H2,19,20,21,22,23)
InChIKeyNYMFWHQPBIOZNJ-UHFFFAOYSA-N
XLogP19.81
TPSA305.38 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms106
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001449.89
LogP ≤ 519.81
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze 2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 159921705) is 2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is Cc1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(-c2ccc(C(F)(F)F)cc2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(-c2ccc(C(F)(F)F)cc2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(-c2ccc(Cl)cc2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is NYMFWHQPBIOZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5.C19H14F3N5O.C18H14ClN5O.C18H15N5O/c1-13-11-18(26-19-12-17(28-29-19)14-5-3-2-4-6-14)27-20(25-13)15-7-9-16(10-8-15)21(22,23)24;1-11-9-16(24-17-10-14(26-27-17)15-3-2-8-28-15)25-18(23-11)12-4-6-13(7-5-12)19(20,21)22;1-11-9-16(22-18(20-11)12-4-6-13(19)7-5-12)21-17-10-14(23-24-17)15-3-2-8-25-15;1-12-10-16(21-18(19-12)13-6-3-2-4-7-13)20-17-11-14(22-23-17)15-8-5-9-24-15/h2-12H,1H3,(H2,25,26,27,28,29);2-10H,1H3,(H2,23,24,25,26,27);2-10H,1H3,(H2,20,21,22,23,24);2-11H,1H3,(H2,19,20,21,22,23).
What are the key properties of 2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 1449.89 g/mol, XLogP of 19.81, 16 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-phenylpyrimidin-4-amine;N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-methyl-N-(5-phenyl-1H-pyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 159921705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).