N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide

C14H15N3O2 — CID 107676575

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(O)c(C)c2)n1
InChIInChI=1S/C14H15N3O2/c1-8-6-11(4-5-12(8)18)13(19)17-14-15-9(2)7-10(3)16-14/h4-7,18H,1-3H3,(H,15,16,17,19)
InChIKeyIVHZGUGZHTUOLY-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.36
Rot. Bonds2

About N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide

N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide (PubChem CID 107676575) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide
PubChem CID107676575
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C)nc(NC(=O)c2ccc(O)c(C)c2)n1
InChIInChI=1S/C14H15N3O2/c1-8-6-11(4-5-12(8)18)13(19)17-14-15-9(2)7-10(3)16-14/h4-7,18H,1-3H3,(H,15,16,17,19)
InChIKeyIVHZGUGZHTUOLY-UHFFFAOYSA-N
XLogP2.36
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107728577
N-(4,6-dimethylpyrimidin-2-yl)-2,6-dihydroxybenzamide
CID 107688990
N-(4,6-dimethylpyrimidin-2-yl)-6-fluoropyridine-3-carboxamide
CID 63971187
2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
CID 114037403
4-hydroxy-3-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 113357489
3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide
CID 802329
4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide
CID 104782353
4-hydroxy-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 103956818
4-hydroxy-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 113357499
4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 5197815
N-(4,6-dimethylpyrimidin-2-yl)-4-(propanoylamino)benzamide
CID 3254451
3-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylbenzoic acid
CID 107674655

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide (CID 107676575) is N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide is Cc1cc(C)nc(NC(=O)c2ccc(O)c(C)c2)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide?
The InChIKey is IVHZGUGZHTUOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-6-11(4-5-12(8)18)13(19)17-14-15-9(2)7-10(3)16-14/h4-7,18H,1-3H3,(H,15,16,17,19).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide?
N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide has a molecular weight of 257.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107676575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).