3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide

C14H16N4O2 — CID 107600220

IUPAC3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide
SMILESCOc1cc(C)nc(NC(=O)c2ccc(C)c(N)c2)n1
InChIInChI=1S/C14H16N4O2/c1-8-4-5-10(7-11(8)15)13(19)18-14-16-9(2)6-12(17-14)20-3/h4-7H,15H2,1-3H3,(H,16,17,18,19)
InChIKeyVRNKMJCUVLKGHZ-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.94
Rot. Bonds3

About 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide

3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide (PubChem CID 107600220) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide
PubChem CID107600220
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide
SMILESCOc1cc(C)nc(NC(=O)c2ccc(C)c(N)c2)n1
InChIInChI=1S/C14H16N4O2/c1-8-4-5-10(7-11(8)15)13(19)18-14-16-9(2)6-12(17-14)20-3/h4-7H,15H2,1-3H3,(H,16,17,18,19)
InChIKeyVRNKMJCUVLKGHZ-UHFFFAOYSA-N
XLogP1.94
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107728577
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-4-carboxamide
CID 107603408
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-(methylamino)benzamide
CID 107603439
4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide
CID 104782353
3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 103916876
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide
CID 107600113
2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107605297
3-amino-4-methyl-N-pyrimidin-2-ylbenzamide
CID 24691828
5-amino-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylbenzamide
CID 107605341
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 107601171
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide
CID 107603438
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide (CID 107600220) is 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide is COc1cc(C)nc(NC(=O)c2ccc(C)c(N)c2)n1.
What is the InChIKey of 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide?
The InChIKey is VRNKMJCUVLKGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8-4-5-10(7-11(8)15)13(19)18-14-16-9(2)6-12(17-14)20-3/h4-7H,15H2,1-3H3,(H,16,17,18,19).
What are the key properties of 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide?
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide has a molecular weight of 272.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzamide is sourced from PubChem (CID 107600220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).