N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylacetamide

C14H15N3O2 — CID 135503465

IUPACN-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylacetamide
SMILESCc1cc(=O)[nH]c(CNC(=O)Cc2ccccc2)n1
InChIInChI=1S/C14H15N3O2/c1-10-7-14(19)17-12(16-10)9-15-13(18)8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyGUAGSEUSAJWBEB-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.94
Rot. Bonds4

About N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylacetamide

N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylacetamide (PubChem CID 135503465) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylacetamide
PubChem CID135503465
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylacetamide
SMILESCc1cc(=O)[nH]c(CNC(=O)Cc2ccccc2)n1
InChIInChI=1S/C14H15N3O2/c1-10-7-14(19)17-12(16-10)9-15-13(18)8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyGUAGSEUSAJWBEB-UHFFFAOYSA-N
XLogP0.94
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylacetamide (CID 135503465) is N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylacetamide is Cc1cc(=O)[nH]c(CNC(=O)Cc2ccccc2)n1.
What is the InChIKey of N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylacetamide?
The InChIKey is GUAGSEUSAJWBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-7-14(19)17-12(16-10)9-15-13(18)8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylacetamide?
N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylacetamide has a molecular weight of 257.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 135503465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).