2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one

C10H12N2OS — CID 158455247

IUPAC2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(C(C)C)scc2c(=O)[nH]1
InChIInChI=1S/C10H12N2OS/c1-5(2)9-8-7(4-14-9)10(13)12-6(3)11-8/h4-5H,1-3H3,(H,11,12,13)
InChIKeyNXLVJWPBWNSIGF-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.42
Rot. Bonds1

About 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one

2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one (PubChem CID 158455247) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one
PubChem CID158455247
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(C(C)C)scc2c(=O)[nH]1
InChIInChI=1S/C10H12N2OS/c1-5(2)9-8-7(4-14-9)10(13)12-6(3)11-8/h4-5H,1-3H3,(H,11,12,13)
InChIKeyNXLVJWPBWNSIGF-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-bromo-2,8-dimethyl-3H-quinazolin-4-one
CID 137009991
8-amino-2-methyl-3H-quinazolin-4-one
CID 135981165
8-bromo-2,7-dimethyl-3H-quinazolin-4-one
CID 135894574
2,5-dimethyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 136692837
6-iodo-2-methyl-7-propan-2-yl-3H-quinazolin-4-one
CID 135428135
ethane;8-iodo-2,7-dimethyl-3H-quinazolin-4-one
CID 136653935
8-bromo-6-chloro-2-methyl-3H-quinazolin-4-one
CID 136799212
7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137266938
8-bromo-6-(1-bromoethyl)-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178098446
2-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135500331
6-(1-aminoethyl)-8-bromo-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097786
2,5-dimethyl-4-(5-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136769320

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one (CID 158455247) is 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one is Cc1nc2c(C(C)C)scc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one?
The InChIKey is NXLVJWPBWNSIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-5(2)9-8-7(4-14-9)10(13)12-6(3)11-8/h4-5H,1-3H3,(H,11,12,13).
What are the key properties of 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one?
2-methyl-7-propan-2-yl-3H-thieno[3,4-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 2-methyl-7-propan-2-yl-3H-thieno[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 158455247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).