N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide

C18H15FN4O2 — CID 109358715

IUPACN-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)Nc2cccc(F)c2)ncn1
InChIInChI=1S/C18H15FN4O2/c1-25-16-8-3-2-7-14(16)23-17-10-15(20-11-21-17)18(24)22-13-6-4-5-12(19)9-13/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyIUNWBIXFMJOARC-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.62
Rot. Bonds5

About N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide

N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109358715) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109358715
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)Nc2cccc(F)c2)ncn1
InChIInChI=1S/C18H15FN4O2/c1-25-16-8-3-2-7-14(16)23-17-10-15(20-11-21-17)18(24)22-13-6-4-5-12(19)9-13/h2-11H,1H3,(H,22,24)(H,20,21,23)
InChIKeyIUNWBIXFMJOARC-UHFFFAOYSA-N
XLogP3.62
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methoxyanilino)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358693
6-(2-bromoanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359671
N-(4-chlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358268
N-(3-fluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348924
6-(2-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109358697
N-(2,3-dichlorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358729
N-(4-fluorophenyl)-6-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109358003
6-(2-ethoxyanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109358001
6-(2,5-dichloroanilino)-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109359682
N-(2,4-dimethylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109356801
6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355840
6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358777

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide (CID 109358715) is N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide is COc1ccccc1Nc1cc(C(=O)Nc2cccc(F)c2)ncn1.
What is the InChIKey of N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is IUNWBIXFMJOARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-25-16-8-3-2-7-14(16)23-17-10-15(20-11-21-17)18(24)22-13-6-4-5-12(19)9-13/h2-11H,1H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide?
N-(3-fluorophenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 3.62, 5 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-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).