2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one

C8H13N3O — CID 135581387

IUPAC2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCCNc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-4-9-8-10-6(3)5(2)7(12)11-8/h4H2,1-3H3,(H2,9,10,11,12)
InChIKeyNYXJWVZIPKRMEF-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.82
Rot. Bonds2

About 2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one

2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135581387) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135581387
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCCNc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C8H13N3O/c1-4-9-8-10-6(3)5(2)7(12)11-8/h4H2,1-3H3,(H2,9,10,11,12)
InChIKeyNYXJWVZIPKRMEF-UHFFFAOYSA-N
XLogP0.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one (CID 135581387) is 2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one is CCNc1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of 2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is NYXJWVZIPKRMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-9-8-10-6(3)5(2)7(12)11-8/h4H2,1-3H3,(H2,9,10,11,12).
What are the key properties of 2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one?
2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 167.21 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135581387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).