benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate

C13H13N3O3 — CID 11161253

IUPACbenzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate
SMILESCc1ncc(NC(=O)OCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H13N3O3/c1-9-14-7-11(12(17)15-9)16-13(18)19-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyWNWDXVOYBNCHHM-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.83
Rot. Bonds3

About benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate

benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate (PubChem CID 11161253) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate
PubChem CID11161253
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Namebenzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate
SMILESCc1ncc(NC(=O)OCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C13H13N3O3/c1-9-14-7-11(12(17)15-9)16-13(18)19-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,18)(H,14,15,17)
InChIKeyWNWDXVOYBNCHHM-UHFFFAOYSA-N
XLogP1.83
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate
CID 22405456
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947
[2-(4-methylphenyl)-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl] acetate
CID 151530111
benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate
CID 10361338
2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate
CID 67458571
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
benzyl N-(5-iodo-2-oxo-1H-pyridin-3-yl)carbamate
CID 10044624
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate?
The IUPAC name of benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate (CID 11161253) is benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate.
What is the SMILES notation for benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate?
The canonical SMILES for benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate is Cc1ncc(NC(=O)OCc2ccccc2)c(=O)[nH]1.
What is the InChIKey of benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate?
The InChIKey is WNWDXVOYBNCHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9-14-7-11(12(17)15-9)16-13(18)19-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,16,18)(H,14,15,17).
What are the key properties of benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate?
benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate has a molecular weight of 259.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate is sourced from PubChem (CID 11161253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).