4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide

C13H12ClN5O3 — CID 90102707

IUPAC4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1c(N)ncnc1Cl
InChIInChI=1S/C13H12ClN5O3/c1-22-8-3-2-6(12(16)20)4-7(8)19-13(21)9-10(14)17-5-18-11(9)15/h2-5H,1H3,(H2,16,20)(H,19,21)(H2,15,17,18)
InChIKeyPYMVJJRZMALAAB-UHFFFAOYSA-N
MW321.72 g/mol
LogP1.07
Rot. Bonds4

About 4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide

4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide (PubChem CID 90102707) has the molecular formula C13H12ClN5O3 and a molecular weight of 321.72 g/mol. Its IUPAC name is 4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide
PubChem CID90102707
Molecular FormulaC13H12ClN5O3
Molecular Weight321.72 g/mol
Exact Mass321.06
IUPAC Name4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1c(N)ncnc1Cl
InChIInChI=1S/C13H12ClN5O3/c1-22-8-3-2-6(12(16)20)4-7(8)19-13(21)9-10(14)17-5-18-11(9)15/h2-5H,1H3,(H2,16,20)(H,19,21)(H2,15,17,18)
InChIKeyPYMVJJRZMALAAB-UHFFFAOYSA-N
XLogP1.07
TPSA133.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.72
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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6-amino-5-chloro-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 62153220

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide (CID 90102707) is 4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide is COc1ccc(C(N)=O)cc1NC(=O)c1c(N)ncnc1Cl.
What is the InChIKey of 4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide?
The InChIKey is PYMVJJRZMALAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O3/c1-22-8-3-2-6(12(16)20)4-7(8)19-13(21)9-10(14)17-5-18-11(9)15/h2-5H,1H3,(H2,16,20)(H,19,21)(H2,15,17,18).
What are the key properties of 4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide?
4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide has a molecular weight of 321.72 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide is sourced from PubChem (CID 90102707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).