N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide

C19H17ClN4O3 — CID 109358617

IUPACN-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3ccc(OC)c(Cl)c3)ncn2)c1
InChIInChI=1S/C19H17ClN4O3/c1-26-14-5-3-4-12(8-14)23-18-10-16(21-11-22-18)19(25)24-13-6-7-17(27-2)15(20)9-13/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyZSTWXKNAEJBWHZ-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.14
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109358617) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109358617
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3ccc(OC)c(Cl)c3)ncn2)c1
InChIInChI=1S/C19H17ClN4O3/c1-26-14-5-3-4-12(8-14)23-18-10-16(21-11-22-18)19(25)24-13-6-7-17(27-2)15(20)9-13/h3-11H,1-2H3,(H,24,25)(H,21,22,23)
InChIKeyZSTWXKNAEJBWHZ-UHFFFAOYSA-N
XLogP4.14
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-chloro-4-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355828
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
6-(2,6-dichloroanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358871
6-(3-chloro-4-methoxyanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356291
N-(3-methoxyphenyl)-6-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109357619
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358796
N-(3-chloro-4-methoxyphenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358631
6-(2-chloro-4,6-dimethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358578
6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744
N-(3-acetylphenyl)-6-(3,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109359259
methyl 2-[[6-[(3-methoxyphenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109358852
6-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109359281

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide (CID 109358617) is N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide is COc1cccc(Nc2cc(C(=O)Nc3ccc(OC)c(Cl)c3)ncn2)c1.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is ZSTWXKNAEJBWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-26-14-5-3-4-12(8-14)23-18-10-16(21-11-22-18)19(25)24-13-6-7-17(27-2)15(20)9-13/h3-11H,1-2H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 384.82 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109358617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).