N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]benzamide

C14H14N4O2 — CID 934537

IUPACN-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]benzamide
SMILESCc1cc(C)nc(NC(=O)NC(=O)c2ccccc2)n1
InChIInChI=1S/C14H14N4O2/c1-9-8-10(2)16-13(15-9)18-14(20)17-12(19)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,16,17,18,19,20)
InChIKeyXOOUUUOSCDJURK-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.06
Rot. Bonds2

About N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]benzamide

N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]benzamide (PubChem CID 934537) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]benzamide.

Molecular Properties

Compound NameN-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]benzamide
PubChem CID934537
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]benzamide
SMILESCc1cc(C)nc(NC(=O)NC(=O)c2ccccc2)n1
InChIInChI=1S/C14H14N4O2/c1-9-8-10(2)16-13(15-9)18-14(20)17-12(19)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,16,17,18,19,20)
InChIKeyXOOUUUOSCDJURK-UHFFFAOYSA-N
XLogP2.06
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]benzamide?
The IUPAC name of N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]benzamide (CID 934537) is N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]benzamide.
What is the SMILES notation for N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]benzamide?
The canonical SMILES for N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]benzamide is Cc1cc(C)nc(NC(=O)NC(=O)c2ccccc2)n1.
What is the InChIKey of N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]benzamide?
The InChIKey is XOOUUUOSCDJURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-8-10(2)16-13(15-9)18-14(20)17-12(19)11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,16,17,18,19,20).
What are the key properties of N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]benzamide?
N-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]benzamide has a molecular weight of 270.29 g/mol, XLogP of 2.06, 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)carbamoyl]benzamide is sourced from PubChem (CID 934537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).