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

C19H17FN4O2 — CID 109348924

IUPACN-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNc1cc(C(=O)Nc2cccc(F)c2)ncn1
InChIInChI=1S/C19H17FN4O2/c1-26-17-8-3-2-5-13(17)11-21-18-10-16(22-12-23-18)19(25)24-15-7-4-6-14(20)9-15/h2-10,12H,11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyWERKLZXBXXTESJ-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.49
Rot. Bonds6

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

N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109348924) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109348924
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC NameN-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCOc1ccccc1CNc1cc(C(=O)Nc2cccc(F)c2)ncn1
InChIInChI=1S/C19H17FN4O2/c1-26-17-8-3-2-5-13(17)11-21-18-10-16(22-12-23-18)19(25)24-15-7-4-6-14(20)9-15/h2-10,12H,11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyWERKLZXBXXTESJ-UHFFFAOYSA-N
XLogP3.49
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109348921
N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358715
N-(3-chlorophenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351198
N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192588
N-(4-chloro-2-methylphenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348899
6-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109348842
N-(3-fluorophenyl)-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
CID 109284703
6-[(2-chlorophenyl)methylamino]-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109348543
6-(3-acetamidoanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349018
methyl 3-[[6-[(2-methylphenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109346873
N-(3-methylphenyl)-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346825
N-(3,5-dimethylphenyl)-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351185

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide (CID 109348924) is N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide is COc1ccccc1CNc1cc(C(=O)Nc2cccc(F)c2)ncn1.
What is the InChIKey of N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is WERKLZXBXXTESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-26-17-8-3-2-5-13(17)11-21-18-10-16(22-12-23-18)19(25)24-15-7-4-6-14(20)9-15/h2-10,12H,11H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide?
N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 352.37 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).