5-amino-6-chloro-3-ethylpyrimidin-4-one

C6H8ClN3O — CID 114582680

IUPAC5-amino-6-chloro-3-ethylpyrimidin-4-one
SMILESCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C6H8ClN3O/c1-2-10-3-9-5(7)4(8)6(10)11/h3H,2,8H2,1H3
InChIKeyNAXWDCSQRDNCMA-UHFFFAOYSA-N
MW173.60 g/mol
LogP0.50
Rot. Bonds1

About 5-amino-6-chloro-3-ethylpyrimidin-4-one

5-amino-6-chloro-3-ethylpyrimidin-4-one (PubChem CID 114582680) has the molecular formula C6H8ClN3O and a molecular weight of 173.60 g/mol. Its IUPAC name is 5-amino-6-chloro-3-ethylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-ethylpyrimidin-4-one
PubChem CID114582680
Molecular FormulaC6H8ClN3O
Molecular Weight173.60 g/mol
Exact Mass173.04
IUPAC Name5-amino-6-chloro-3-ethylpyrimidin-4-one
SMILESCCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C6H8ClN3O/c1-2-10-3-9-5(7)4(8)6(10)11/h3H,2,8H2,1H3
InChIKeyNAXWDCSQRDNCMA-UHFFFAOYSA-N
XLogP0.50
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.60
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-6-chloro-3-ethylpyrimidin-4-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

5,6-Diamino-3-methylpyrimidin-4(3H)-one
CID 22949785
5-Amino-6-chloro-3-(3,3,3-trifluoropropyl)pyrimidin-4-one
CID 114582482
5-Amino-6-chloro-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 114582494
5-Amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114582585
5-Amino-6-chloro-3-(2,2-difluoroethyl)pyrimidin-4-one
CID 114582648
5-Amino-6-chloro-3-(2-fluoroethyl)pyrimidin-4-one
CID 114582744
5-Amino-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114582822
5-Amino-6-chloro-3-methylpyrimidin-4(3H)-one
CID 12350064
5,6-Diamino-3-propylpyrimidin-4(3H)-one
CID 67076582
5-Amino-3-ethyl-3,4-dihydropyrimidin-4-one hydrochloride
CID 121553549
5-Amino-3-ethyl-3,4-dihydropyrimidin-4-one
CID 121553550
5-Amino-3-propylpyrimidin-4-one;hydrochloride
CID 138585613

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-ethylpyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-ethylpyrimidin-4-one (CID 114582680) is 5-amino-6-chloro-3-ethylpyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-ethylpyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-ethylpyrimidin-4-one is CCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-ethylpyrimidin-4-one?
The InChIKey is NAXWDCSQRDNCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O/c1-2-10-3-9-5(7)4(8)6(10)11/h3H,2,8H2,1H3.
What are the key properties of 5-amino-6-chloro-3-ethylpyrimidin-4-one?
5-amino-6-chloro-3-ethylpyrimidin-4-one has a molecular weight of 173.60 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-ethylpyrimidin-4-one is sourced from PubChem (CID 114582680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).