5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one

C9H9ClN4OS — CID 136975621

IUPAC5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCc2nccs2)c1Cl
InChIInChI=1S/C9H9ClN4OS/c10-7-8(13-5-14-9(7)15)12-2-1-6-11-3-4-16-6/h3-5H,1-2H2,(H2,12,13,14,15)
InChIKeyWXNAGXWEOSKPIV-UHFFFAOYSA-N
MW256.72 g/mol
LogP1.53
Rot. Bonds4

About 5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one

5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one (PubChem CID 136975621) has the molecular formula C9H9ClN4OS and a molecular weight of 256.72 g/mol. Its IUPAC name is 5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
PubChem CID136975621
Molecular FormulaC9H9ClN4OS
Molecular Weight256.72 g/mol
Exact Mass256.02
IUPAC Name5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCc2nccs2)c1Cl
InChIInChI=1S/C9H9ClN4OS/c10-7-8(13-5-14-9(7)15)12-2-1-6-11-3-4-16-6/h3-5H,1-2H2,(H2,12,13,14,15)
InChIKeyWXNAGXWEOSKPIV-UHFFFAOYSA-N
XLogP1.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-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-[2-(5-chlorothiophen-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136908662
5-chloro-4-[2-(1,3-thiazol-2-yl)propylamino]-1H-pyrimidin-6-one
CID 136896856
5-chloro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136908657
4-[(3-bromothiophen-2-yl)methylamino]-5-chloro-1H-pyrimidin-6-one
CID 136976452
5-chloro-4-[2-(propylamino)ethylamino]-1H-pyrimidin-6-one
CID 136977852
N-[2-(1,3-thiazol-2-yl)ethyl]-7H-purin-6-amine
CID 49432029
4-[[(E)-but-2-enyl]amino]-5-chloro-1H-pyrimidin-6-one
CID 137259056
5-chloro-4-(2-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136974194
5-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
CID 136880885
5-chloro-4-(2-imidazol-1-ylethylamino)-1H-pyrimidin-6-one
CID 136974702
5-chloro-4-(2-chloropropylamino)-1H-pyrimidin-6-one
CID 136971856
5-chloro-4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-1H-pyrimidin-6-one
CID 136973683

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one (CID 136975621) is 5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCc2nccs2)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
The InChIKey is WXNAGXWEOSKPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4OS/c10-7-8(13-5-14-9(7)15)12-2-1-6-11-3-4-16-6/h3-5H,1-2H2,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one?
5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one has a molecular weight of 256.72 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(1,3-thiazol-2-yl)ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).