2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one

C10H15N3OS — CID 136726600

IUPAC2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CCSC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3OS/c1-2-8-12-9(5-10(14)13-8)11-7-3-4-15-6-7/h5,7H,2-4,6H2,1H3,(H2,11,12,13,14)
InChIKeyDIRKLJBOILDOHY-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.25
Rot. Bonds3

About 2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one

2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one (PubChem CID 136726600) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
PubChem CID136726600
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CCSC2)cc(=O)[nH]1
InChIInChI=1S/C10H15N3OS/c1-2-8-12-9(5-10(14)13-8)11-7-3-4-15-6-7/h5,7H,2-4,6H2,1H3,(H2,11,12,13,14)
InChIKeyDIRKLJBOILDOHY-UHFFFAOYSA-N
XLogP1.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-4-(thiolan-3-ylamino)-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

2-ethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136842346
2-(2-Ethyl-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-7-yl)ethanimidamide
CID 136187798
2-Ethyl-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-4-one
CID 136471388
2-methyl-4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723617
2-propan-2-yl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726591
2-cyclopropyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726594
4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726596
2-methyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726598
2-ethyl-4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730583
2-ethyl-4-[(1-methylsulfanylcyclopropyl)methylamino]-1H-pyrimidin-6-one
CID 136762582
2-ethyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136778328
2-methyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
CID 136778331

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one (CID 136726600) is 2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one is CCc1nc(NC2CCSC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
The InChIKey is DIRKLJBOILDOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-2-8-12-9(5-10(14)13-8)11-7-3-4-15-6-7/h5,7H,2-4,6H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one?
2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one has a molecular weight of 225.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(thiolan-3-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136726600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).