methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate

C8H10N4O4 — CID 135710723

IUPACmethyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N4O4/c1-4-5(3-9-12-8(15)16-2)6(13)11-7(14)10-4/h3H,1-2H3,(H,12,15)(H2,10,11,13,14)/b9-3+
InChIKeyNMNAAEXBTDWPDX-YCRREMRBSA-N
MW226.19 g/mol
LogP-0.94
Rot. Bonds2

About methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate

methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate (PubChem CID 135710723) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate
PubChem CID135710723
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Namemethyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C/c1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N4O4/c1-4-5(3-9-12-8(15)16-2)6(13)11-7(14)10-4/h3H,1-2H3,(H,12,15)(H2,10,11,13,14)/b9-3+
InChIKeyNMNAAEXBTDWPDX-YCRREMRBSA-N
XLogP-0.94
TPSA116.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-2-amino-3-methyl-N-[(Z)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]pentanamide
CID 136732583
(2S)-2-amino-3-methyl-N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]pentanamide
CID 135651544
[1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium
CID 4920974
tert-butyl N-[1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 4872229
(2S)-2-amino-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]-3-phenylpropanamide
CID 936687
5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 135455284
[(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methylideneamino]thiourea
CID 3659428
(E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid
CID 743193
5-[(Z)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 135455277
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 110526401
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
CID 110526472
methyl N-[(E)-1H-pyrrol-2-ylmethylideneamino]carbamate
CID 135644237

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate (CID 135710723) is methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate is COC(=O)N/N=C/c1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate?
The InChIKey is NMNAAEXBTDWPDX-YCRREMRBSA-N. The full InChI is InChI=1S/C8H10N4O4/c1-4-5(3-9-12-8(15)16-2)6(13)11-7(14)10-4/h3H,1-2H3,(H,12,15)(H2,10,11,13,14)/b9-3+.
What are the key properties of methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate?
methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate has a molecular weight of 226.19 g/mol, XLogP of -0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate is sourced from PubChem (CID 135710723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).