6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

C10H12N2OS — CID 39732424

IUPAC6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc[nH]c(=O)c2c1C(C)C
InChIInChI=1S/C10H12N2OS/c1-5(2)7-6(3)14-10-8(7)9(13)11-4-12-10/h4-5H,1-3H3,(H,11,12,13)
InChIKeyYIPGTLDURNQRJF-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.42
Rot. Bonds1

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

6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 39732424) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID39732424
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc[nH]c(=O)c2c1C(C)C
InChIInChI=1S/C10H12N2OS/c1-5(2)7-6(3)14-10-8(7)9(13)11-4-12-10/h4-5H,1-3H3,(H,11,12,13)
InChIKeyYIPGTLDURNQRJF-UHFFFAOYSA-N
XLogP2.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 1186407
6-ethyl-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 23330414
5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-sulfonyl chloride
CID 86665666
5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 121360083
3,3-di(propan-2-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 170411221
5-methyl-6-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 110167626
5-amino-6-bromo-3H-thieno[2,3-d]pyrimidin-4-one
CID 82384756
(2R)-3-methyl-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164923
(2S)-2-[(5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
CID 39164951
3-chloro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
CID 135459391
5-methyl-4-oxo-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 91639491
ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 731240

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 39732424) is 6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc[nH]c(=O)c2c1C(C)C.
What is the InChIKey of 6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is YIPGTLDURNQRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-5(2)7-6(3)14-10-8(7)9(13)11-4-12-10/h4-5H,1-3H3,(H,11,12,13).
What are the key properties of 6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 208.29 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propan-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 39732424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).