6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide

C18H16N4O2 — CID 109355832

IUPAC6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3ccccc3)ncn2)c1
InChIInChI=1S/C18H16N4O2/c1-24-15-9-5-8-14(10-15)21-17-11-16(19-12-20-17)18(23)22-13-6-3-2-4-7-13/h2-12H,1H3,(H,22,23)(H,19,20,21)
InChIKeyKOTFDUNMKFNKJR-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.48
Rot. Bonds5

About 6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide

6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109355832) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109355832
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3ccccc3)ncn2)c1
InChIInChI=1S/C18H16N4O2/c1-24-15-9-5-8-14(10-15)21-17-11-16(19-12-20-17)18(23)22-13-6-3-2-4-7-13/h2-12H,1H3,(H,22,23)(H,19,20,21)
InChIKeyKOTFDUNMKFNKJR-UHFFFAOYSA-N
XLogP3.48
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[6-(3-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358805
N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358617
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358796
6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358871
N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109357754
methyl 3-[[6-(phenylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109355850
N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357619
6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109358798
6-(2,4-dimethoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355840
6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109356884

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide (CID 109355832) is 6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide is COc1cccc(Nc2cc(C(=O)Nc3ccccc3)ncn2)c1.
What is the InChIKey of 6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is KOTFDUNMKFNKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-24-15-9-5-8-14(10-15)21-17-11-16(19-12-20-17)18(23)22-13-6-3-2-4-7-13/h2-12H,1H3,(H,22,23)(H,19,20,21).
What are the key properties of 6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide?
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109355832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).