2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide

C13H13ClN4O3 — CID 116794634

IUPAC2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)c(N)c(C(=O)Nc2ccnc(Cl)n2)c1
InChIInChI=1S/C13H13ClN4O3/c1-20-7-5-8(11(15)9(6-7)21-2)12(19)17-10-3-4-16-13(14)18-10/h3-6H,15H2,1-2H3,(H,16,17,18,19)
InChIKeyDKRUDYDISXJIDK-UHFFFAOYSA-N
MW308.73 g/mol
LogP1.98
Rot. Bonds4

About 2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide

2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide (PubChem CID 116794634) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide
PubChem CID116794634
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC Name2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)c(N)c(C(=O)Nc2ccnc(Cl)n2)c1
InChIInChI=1S/C13H13ClN4O3/c1-20-7-5-8(11(15)9(6-7)21-2)12(19)17-10-3-4-16-13(14)18-10/h3-6H,15H2,1-2H3,(H,16,17,18,19)
InChIKeyDKRUDYDISXJIDK-UHFFFAOYSA-N
XLogP1.98
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-3,5-dimethoxy-N-(6-methyl-2-pyridinyl)benzamide
CID 115950448
2-amino-3,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 115950747
N-(2-chloropyrimidin-4-yl)-4-methoxybenzamide
CID 116798448
2-amino-3,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 112606083
2-amino-N-(3-bromo-4-pyridinyl)-3,5-dimethoxybenzamide
CID 115950780
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
N-(2-chloropyrimidin-4-yl)-2,4-difluorobenzamide
CID 116798586
N-(2-chloropyrimidin-4-yl)-2-ethylbenzamide
CID 116798386
2-[(2-chloropyrimidin-4-yl)carbamoyl]-4,5-difluorobenzoic acid
CID 116794791
5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 762528
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3,5-dimethoxybenzamide
CID 104616629
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide?
The IUPAC name of 2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide (CID 116794634) is 2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide.
What is the SMILES notation for 2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide?
The canonical SMILES for 2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide is COc1cc(OC)c(N)c(C(=O)Nc2ccnc(Cl)n2)c1.
What is the InChIKey of 2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide?
The InChIKey is DKRUDYDISXJIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c1-20-7-5-8(11(15)9(6-7)21-2)12(19)17-10-3-4-16-13(14)18-10/h3-6H,15H2,1-2H3,(H,16,17,18,19).
What are the key properties of 2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide?
2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide has a molecular weight of 308.73 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloropyrimidin-4-yl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 116794634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).