2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C12H14N2OS — CID 47069385

IUPAC2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1c(C)sc2nc(C3CC3)[nH]c(=O)c12
InChIInChI=1S/C12H14N2OS/c1-3-8-6(2)16-12-9(8)11(15)13-10(14-12)7-4-5-7/h7H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyAKZHDILNDSDIAO-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.73
Rot. Bonds2

About 2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 47069385) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID47069385
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1c(C)sc2nc(C3CC3)[nH]c(=O)c12
InChIInChI=1S/C12H14N2OS/c1-3-8-6(2)16-12-9(8)11(15)13-10(14-12)7-4-5-7/h7H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyAKZHDILNDSDIAO-UHFFFAOYSA-N
XLogP2.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
CID 209395
5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 403053
2,5,6-trimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 857577
5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 2409212
4-methyl-2-oxo-N-pentan-2-yl-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide
CID 4885208
N,N-dimethyl-N'-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)imidoformamide
CID 9632285
2,3-Dimethyl-8,9-dihydro-4H-thieno[2',3':4,5]pyrimido[1,2-b]pyridazine-4,7(6H)-dione
CID 619283
3-Ethyl-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 800379
1,5,6,7,8,9-Hexahydro-2-methyl-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one
CID 1586905
5-methyl-4-oxo-3H,4H-thieno(2,3-d)pyrimidine-6-carboxamide
CID 734348
2-Methyl-3,5,6,7-Tetrahydro-4h-Cyclopenta[4,5]thieno[2,3-D]pyrimidin-4-One
CID 2807595
2-butyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-ol
CID 657874

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 47069385) is 2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is CCc1c(C)sc2nc(C3CC3)[nH]c(=O)c12.
What is the InChIKey of 2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is AKZHDILNDSDIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-8-6(2)16-12-9(8)11(15)13-10(14-12)7-4-5-7/h7H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of 2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 234.32 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-ethyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 47069385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).