benzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate

C14H14N4O4 — CID 166785590

IUPACbenzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate
SMILESCc1cc(=O)[nH]c(NC(=O)NC(=O)OCc2ccccc2)n1
InChIInChI=1S/C14H14N4O4/c1-9-7-11(19)16-12(15-9)17-13(20)18-14(21)22-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H3,15,16,17,18,19,20,21)
InChIKeyPSHGVEJADGGXHT-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.54
Rot. Bonds3

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

benzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate (PubChem CID 166785590) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is benzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate
PubChem CID166785590
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC Namebenzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate
SMILESCc1cc(=O)[nH]c(NC(=O)NC(=O)OCc2ccccc2)n1
InChIInChI=1S/C14H14N4O4/c1-9-7-11(19)16-12(15-9)17-13(20)18-14(21)22-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H3,15,16,17,18,19,20,21)
InChIKeyPSHGVEJADGGXHT-UHFFFAOYSA-N
XLogP1.54
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)guanidine
CID 135417572
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[N-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]anilino]propyl]urea
CID 136600293
4-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 135527667
2-chloro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
CID 135511505
benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate
CID 10470827
[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]urea
CID 137232321
benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate
CID 11161253
4-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]methyl]benzoic acid
CID 135610198
benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 78775976
5-methyl-2-(phenylmethoxycarbonylamino)-1H-pyrrole-3-carboxylic acid
CID 167716374
1-(2-isocyanatoethyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139347372
benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate
CID 22405456

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate?
The IUPAC name of benzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate (CID 166785590) is benzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate.
What is the SMILES notation for benzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate?
The canonical SMILES for benzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate is Cc1cc(=O)[nH]c(NC(=O)NC(=O)OCc2ccccc2)n1.
What is the InChIKey of benzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate?
The InChIKey is PSHGVEJADGGXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-9-7-11(19)16-12(15-9)17-13(20)18-14(21)22-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H3,15,16,17,18,19,20,21).
What are the key properties of benzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate?
benzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate has a molecular weight of 302.29 g/mol, XLogP of 1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoyl]carbamate is sourced from PubChem (CID 166785590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).