5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one

C10H14ClN3O — CID 136852224

IUPAC5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1(CNc2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C10H14ClN3O/c1-2-10(3-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyOTXYCATUYGMRJK-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.03
Rot. Bonds4

About 5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one

5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136852224) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136852224
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1(CNc2nc[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C10H14ClN3O/c1-2-10(3-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15)
InChIKeyOTXYCATUYGMRJK-UHFFFAOYSA-N
XLogP2.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-[(1-ethylcyclopropyl)methylamino]-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

Related Compounds

5-chloro-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723582
5-chloro-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750469
5-chloro-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756215
5-chloro-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768843
5-chloro-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794534
5-chloro-4-[(1-propan-2-ylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136824074
5-chloro-4-(2,2,3-trimethylbutylamino)-1H-pyrimidin-6-one
CID 136852203
5-chloro-4-[(1-methylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852214
4-[(1-ethylcyclopropyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136852225
4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852227
5-bromo-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852228
5-chloro-4-[(1-propylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136852233

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136852224) is 5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CCC1(CNc2nc[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is OTXYCATUYGMRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-2-10(3-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 227.69 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136852224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).