2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate

C9H14N4O3 — CID 136976721

IUPAC2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate
SMILESCCc1nc(NCCOC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c1-2-6-12-7(5-8(14)13-6)11-3-4-16-9(10)15/h5H,2-4H2,1H3,(H2,10,15)(H2,11,12,13,14)
InChIKeyAVZFIILMWSCEAM-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.16
Rot. Bonds5

About 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate

2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate (PubChem CID 136976721) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate
PubChem CID136976721
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate
SMILESCCc1nc(NCCOC(N)=O)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O3/c1-2-6-12-7(5-8(14)13-6)11-3-4-16-9(10)15/h5H,2-4H2,1H3,(H2,10,15)(H2,11,12,13,14)
InChIKeyAVZFIILMWSCEAM-UHFFFAOYSA-N
XLogP-0.16
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl 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

4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974133
ethyl 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136959024
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanamide
CID 136974611
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958362
2-ethyl-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902417
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4,4-dimethylhexanoic acid
CID 136959105
4-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]benzoic acid
CID 136958484
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
2-ethyl-4-(pent-4-ynylamino)-1H-pyrimidin-6-one
CID 136882486
1-[2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]triazole-4-carboxylic acid
CID 136959154

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate (CID 136976721) is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate is CCc1nc(NCCOC(N)=O)cc(=O)[nH]1.
What is the InChIKey of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate?
The InChIKey is AVZFIILMWSCEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-2-6-12-7(5-8(14)13-6)11-3-4-16-9(10)15/h5H,2-4H2,1H3,(H2,10,15)(H2,11,12,13,14).
What are the key properties of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate?
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate has a molecular weight of 226.24 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate is sourced from PubChem (CID 136976721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).