2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

C20H19FN4O2 — CID 109328692

IUPAC2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)nc(NCc3ccc(F)cc3)n2)c1
InChIInChI=1S/C20H19FN4O2/c1-13-10-18(19(26)24-16-4-3-5-17(11-16)27-2)25-20(23-13)22-12-14-6-8-15(21)9-7-14/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyGOIXOHNFIMPXSA-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.80
Rot. Bonds6

About 2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109328692) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109328692
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)nc(NCc3ccc(F)cc3)n2)c1
InChIInChI=1S/C20H19FN4O2/c1-13-10-18(19(26)24-16-4-3-5-17(11-16)27-2)25-20(23-13)22-12-14-6-8-15(21)9-7-14/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyGOIXOHNFIMPXSA-UHFFFAOYSA-N
XLogP3.80
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoroanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336848
N-(4-fluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109331030
2-(butylamino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320543
2-[2-(4-chlorophenyl)ethylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109331701
2-(benzylamino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109327159
2-[2-(4-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109330842
N-(4-chlorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329281
2-[(4-fluorophenyl)methylamino]-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328638
N-(2-fluorophenyl)-2-[(4-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329277
2-(3,5-dimethylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109335915
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
2-(3-acetylanilino)-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337527

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109328692) is 2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is COc1cccc(NC(=O)c2cc(C)nc(NCc3ccc(F)cc3)n2)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is GOIXOHNFIMPXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-13-10-18(19(26)24-16-4-3-5-17(11-16)27-2)25-20(23-13)22-12-14-6-8-15(21)9-7-14/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-N-(3-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109328692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).