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

C84H88F3N25 — CID 158352473

IUPACN-(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
SMILESCCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(F)(F)F)cc2)n1.CCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccccc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccccc2)n1.Cc1cc(Nc2nc(-c3ccccc3)nc(C)c2C)n[nH]1.Cc1ccc(-c2nc(C)cc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1
InChIInChI=1S/C20H23N5.C17H16F3N5.2C16H17N5.C15H15N5/c1-13-7-9-16(10-8-13)20-21-14(2)11-18(23-20)22-19-12-17(24-25-19)15-5-3-4-6-15;1-3-13-9-14(22-15-8-10(2)24-25-15)23-16(21-13)11-4-6-12(7-5-11)17(18,19)20;1-10-9-14(21-20-10)18-15-11(2)12(3)17-16(19-15)13-7-5-4-6-8-13;1-3-13-10-14(18-15-9-11(2)20-21-15)19-16(17-13)12-7-5-4-6-8-12;1-10-8-13(17-14-9-11(2)19-20-14)18-15(16-10)12-6-4-3-5-7-12/h7-12,15H,3-6H2,1-2H3,(H2,21,22,23,24,25);4-9H,3H2,1-2H3,(H2,21,22,23,24,25);4-9H,1-3H3,(H2,17,18,19,20,21);4-10H,3H2,1-2H3,(H2,17,18,19,20,21);3-9H,1-2H3,(H2,16,17,18,19,20)
InChIKeyGSMHUYHJZONROR-UHFFFAOYSA-N
MW1504.80 g/mol
LogP19.63
Rot. Bonds18

About 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

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 (PubChem CID 158352473) has the molecular formula C84H88F3N25 and a molecular weight of 1504.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID158352473
Molecular FormulaC84H88F3N25
Molecular Weight1504.80 g/mol
Exact Mass1503.76
IUPAC NameN-(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
SMILESCCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(F)(F)F)cc2)n1.CCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccccc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccccc2)n1.Cc1cc(Nc2nc(-c3ccccc3)nc(C)c2C)n[nH]1.Cc1ccc(-c2nc(C)cc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1
InChIInChI=1S/C20H23N5.C17H16F3N5.2C16H17N5.C15H15N5/c1-13-7-9-16(10-8-13)20-21-14(2)11-18(23-20)22-19-12-17(24-25-19)15-5-3-4-6-15;1-3-13-9-14(22-15-8-10(2)24-25-15)23-16(21-13)11-4-6-12(7-5-11)17(18,19)20;1-10-9-14(21-20-10)18-15-11(2)12(3)17-16(19-15)13-7-5-4-6-8-13;1-3-13-10-14(18-15-9-11(2)20-21-15)19-16(17-13)12-7-5-4-6-8-12;1-10-8-13(17-14-9-11(2)19-20-14)18-15(16-10)12-6-4-3-5-7-12/h7-12,15H,3-6H2,1-2H3,(H2,21,22,23,24,25);4-9H,3H2,1-2H3,(H2,21,22,23,24,25);4-9H,1-3H3,(H2,17,18,19,20,21);4-10H,3H2,1-2H3,(H2,17,18,19,20,21);3-9H,1-2H3,(H2,16,17,18,19,20)
InChIKeyGSMHUYHJZONROR-UHFFFAOYSA-N
XLogP19.63
TPSA332.45 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms112
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001504.80
LogP ≤ 519.63
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(F)(F)F)cc2)n1.CCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccccc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccccc2)n1.Cc1cc(Nc2nc(-c3ccccc3)nc(C)c2C)n[nH]1.Cc1ccc(-c2nc(C)cc(Nc3cc(C4CCCC4)[nH]n3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is GSMHUYHJZONROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5.C17H16F3N5.2C16H17N5.C15H15N5/c1-13-7-9-16(10-8-13)20-21-14(2)11-18(23-20)22-19-12-17(24-25-19)15-5-3-4-6-15;1-3-13-9-14(22-15-8-10(2)24-25-15)23-16(21-13)11-4-6-12(7-5-11)17(18,19)20;1-10-9-14(21-20-10)18-15-11(2)12(3)17-16(19-15)13-7-5-4-6-8-13;1-3-13-10-14(18-15-9-11(2)20-21-15)19-16(17-13)12-7-5-4-6-8-12;1-10-8-13(17-14-9-11(2)19-20-14)18-15(16-10)12-6-4-3-5-7-12/h7-12,15H,3-6H2,1-2H3,(H2,21,22,23,24,25);4-9H,3H2,1-2H3,(H2,21,22,23,24,25);4-9H,1-3H3,(H2,17,18,19,20,21);4-10H,3H2,1-2H3,(H2,17,18,19,20,21);3-9H,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 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?
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 has a molecular weight of 1504.80 g/mol, XLogP of 19.63, 18 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158352473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).