3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one

C12H16N2OS — CID 118729737

IUPAC3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(CC(C)C)nc2ccsc2c1=O
InChIInChI=1S/C12H16N2OS/c1-4-14-10(7-8(2)3)13-9-5-6-16-11(9)12(14)15/h5-6,8H,4,7H2,1-3H3
InChIKeyPWJANYGYRSPSAC-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.68
Rot. Bonds3

About 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one

3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118729737) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID118729737
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(CC(C)C)nc2ccsc2c1=O
InChIInChI=1S/C12H16N2OS/c1-4-14-10(7-8(2)3)13-9-5-6-16-11(9)12(14)15/h5-6,8H,4,7H2,1-3H3
InChIKeyPWJANYGYRSPSAC-UHFFFAOYSA-N
XLogP2.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-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

2-(Cyclopentylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719988
2-(Cyclohexylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118719989
3-Ethyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-one
CID 118729736
2-(Cyclobutylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 118729740
3-(dimethylamino)thieno[3,2-d]pyrimidin-4(3H)-one
CID 1478283
3H-Thieno[3,2-d]pyrimidin-4-one, 3-ethyl-2-[2-(2-methylpiperidin-1-yl)-2-oxoethylsulfanyl]-
CID 3677285
2-((methylamino)methyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 135600413
3-methyl-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
CID 658824
3-ethyl-2-(propylsulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 3484012
2-(3-methylpiperidin-1-yl)-4H-thieno[3,2-d][1,3]thiazin-4-one
CID 3237764
3-Butyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
CID 3644807
3-(3-Methylbutyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-3H,4H-thieno[3,2-D]pyrimidin-4-one
CID 3648171

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one (CID 118729737) is 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one is CCn1c(CC(C)C)nc2ccsc2c1=O.
What is the InChIKey of 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is PWJANYGYRSPSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-4-14-10(7-8(2)3)13-9-5-6-16-11(9)12(14)15/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 236.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118729737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).