2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide

C13H13ClN4O2 — CID 170754075

IUPAC2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(Cl)nc1Nc1ccccc1OC
InChIInChI=1S/C13H13ClN4O2/c1-15-12(19)8-7-16-13(14)18-11(8)17-9-5-3-4-6-10(9)20-2/h3-7H,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyBVKKMVFSGTXAPW-UHFFFAOYSA-N
MW292.73 g/mol
LogP2.24
Rot. Bonds4

About 2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide

2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide (PubChem CID 170754075) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide
PubChem CID170754075
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(Cl)nc1Nc1ccccc1OC
InChIInChI=1S/C13H13ClN4O2/c1-15-12(19)8-7-16-13(14)18-11(8)17-9-5-3-4-6-10(9)20-2/h3-7H,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyBVKKMVFSGTXAPW-UHFFFAOYSA-N
XLogP2.24
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-methyl-4-(2-methylanilino)pyrimidine-5-carboxamide
CID 118462020
2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 4542663
2-chloro-N-(2-methoxyphenyl)-5-nitropyrimidin-4-amine
CID 114043106
4-(2-methoxyanilino)-N-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 44536053
ethyl 1-[4-(2-methoxyanilino)-5-(methylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 176858297
2-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyrimidine-5-carboxamide
CID 171437014
2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide
CID 118905561
2-[[2-(5-amino-2-methoxyanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzamide
CID 67468507
6-chloro-2-N,4-N-bis(2-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 3634041
2-(5-bromo-2-chloropyrimidin-4-yl)oxy-N-methylbenzamide;ethane
CID 145025563
2-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyrimidine-5-carboxylic acid
CID 166064429
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide (CID 170754075) is 2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide is CNC(=O)c1cnc(Cl)nc1Nc1ccccc1OC.
What is the InChIKey of 2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide?
The InChIKey is BVKKMVFSGTXAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c1-15-12(19)8-7-16-13(14)18-11(8)17-9-5-3-4-6-10(9)20-2/h3-7H,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide?
2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide has a molecular weight of 292.73 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methoxyanilino)-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 170754075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).