N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide

C19H17ClN4O3 — CID 109317470

IUPACN-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)Nc3cc(Cl)ccc3OC)n2)c1
InChIInChI=1S/C19H17ClN4O3/c1-26-14-5-3-4-13(11-14)22-19-21-9-8-15(24-19)18(25)23-16-10-12(20)6-7-17(16)27-2/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyAMSIEMSAPBJMAA-UHFFFAOYSA-N
MW384.82 g/mol
LogP4.14
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109317470) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109317470
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2nccc(C(=O)Nc3cc(Cl)ccc3OC)n2)c1
InChIInChI=1S/C19H17ClN4O3/c1-26-14-5-3-4-13(11-14)22-19-21-9-8-15(24-19)18(25)23-16-10-12(20)6-7-17(16)27-2/h3-11H,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyAMSIEMSAPBJMAA-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

2-(3-methoxyanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109317648
2-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313540
2-(3-chloroanilino)-N-(2,5-dimethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337046
N-(2,5-dimethoxyphenyl)-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109316103
N-(2,5-dimethoxyphenyl)-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315277
N-(3,5-dimethylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109315201
N-(3-chloro-4-methylphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317290
N-(4-cyanophenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317646
2-(3-cyanoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317597
2-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109317564
2-(3,4-dimethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109317940
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109334919

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide (CID 109317470) is N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide is COc1cccc(Nc2nccc(C(=O)Nc3cc(Cl)ccc3OC)n2)c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is AMSIEMSAPBJMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c1-26-14-5-3-4-13(11-14)22-19-21-9-8-15(24-19)18(25)23-16-10-12(20)6-7-17(16)27-2/h3-11H,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-(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-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109317470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).