benzyl N-[3-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-N-methylcarbamate

C19H17N3O4 — CID 22618157

IUPACbenzyl N-[3-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)c1cccc(-c2cc(=O)[nH]c(=O)[nH]2)c1
InChIInChI=1S/C19H17N3O4/c1-22(19(25)26-12-13-6-3-2-4-7-13)15-9-5-8-14(10-15)16-11-17(23)21-18(24)20-16/h2-11H,12H2,1H3,(H2,20,21,23,24)
InChIKeyKOJUMDXPFJKKRF-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.50
Rot. Bonds4

About benzyl N-[3-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-N-methylcarbamate

benzyl N-[3-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-N-methylcarbamate (PubChem CID 22618157) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is benzyl N-[3-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-N-methylcarbamate
PubChem CID22618157
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Namebenzyl N-[3-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)c1cccc(-c2cc(=O)[nH]c(=O)[nH]2)c1
InChIInChI=1S/C19H17N3O4/c1-22(19(25)26-12-13-6-3-2-4-7-13)15-9-5-8-14(10-15)16-11-17(23)21-18(24)20-16/h2-11H,12H2,1H3,(H2,20,21,23,24)
InChIKeyKOJUMDXPFJKKRF-UHFFFAOYSA-N
XLogP2.50
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 156800719
CID 156800719
benzyl N-(3-carbonochloridoylphenyl)-N-methylcarbamate
CID 87413582
benzyl 2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanoate
CID 136685527
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-methyl-N-(2-methylquinolin-6-yl)carbamate
CID 71379552
benzyl N-[3-(aminomethyl)-5-propan-2-ylphenyl]-N-methylcarbamate
CID 59570072
benzyl N-(3-bromo-5-cyanophenyl)-N-methylcarbamate
CID 68671106
(4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate
CID 70033297
benzyl N-methyl-N-(4-nitrophenyl)carbamate
CID 102148526
benzyl N-amino-N-phenylcarbamate
CID 54267520
tert-butyl 2-[2-amino-4-[methyl(phenylmethoxycarbonyl)amino]phenoxy]acetate
CID 89143806
benzyl N-cyclopropyloxy-N-methylcarbamate
CID 169312845

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[3-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-N-methylcarbamate (CID 22618157) is benzyl N-[3-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[3-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[3-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-N-methylcarbamate is CN(C(=O)OCc1ccccc1)c1cccc(-c2cc(=O)[nH]c(=O)[nH]2)c1.
What is the InChIKey of benzyl N-[3-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-N-methylcarbamate?
The InChIKey is KOJUMDXPFJKKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-22(19(25)26-12-13-6-3-2-4-7-13)15-9-5-8-14(10-15)16-11-17(23)21-18(24)20-16/h2-11H,12H2,1H3,(H2,20,21,23,24).
What are the key properties of benzyl N-[3-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-N-methylcarbamate?
benzyl N-[3-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-N-methylcarbamate has a molecular weight of 351.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2,4-dioxo-1H-pyrimidin-6-yl)phenyl]-N-methylcarbamate is sourced from PubChem (CID 22618157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).