3H-thieno[3,2-d]pyrimidin-4-one

C6H4N2OS — CID 135417422

IUPAC3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2ccsc12
InChIInChI=1S/C6H4N2OS/c9-6-5-4(1-2-10-5)7-3-8-6/h1-3H,(H,7,8,9)
InChIKeyPZMKGWRBZNOIPQ-UHFFFAOYSA-N
MW152.18 g/mol
LogP0.98
Rot. Bonds

About 3H-thieno[3,2-d]pyrimidin-4-one

3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135417422) has the molecular formula C6H4N2OS and a molecular weight of 152.18 g/mol. Its IUPAC name is 3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135417422
Molecular FormulaC6H4N2OS
Molecular Weight152.18 g/mol
Exact Mass152.00
IUPAC Name3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2ccsc12
InChIInChI=1S/C6H4N2OS/c9-6-5-4(1-2-10-5)7-3-8-6/h1-3H,(H,7,8,9)
InChIKeyPZMKGWRBZNOIPQ-UHFFFAOYSA-N
XLogP0.98
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(chloromethyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135416191
6-tert-Butyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 135400705
7-methyl-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135439636
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-(Methylamino)-3,4-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2806117
3-(dimethylamino)thieno[3,2-d]pyrimidin-4(3H)-one
CID 1478283
2-((methylamino)methyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 135600413
3-ethyl-2-(propylsulfanyl)thieno[3,2-d]pyrimidin-4(3H)-one
CID 3484012
3-Methyl-2-(prop-2-enylamino)thieno[3,2-d]pyrimidin-4-one
CID 118719987

Frequently Asked Questions

What is the IUPAC name of 3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3H-thieno[3,2-d]pyrimidin-4-one (CID 135417422) is 3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3H-thieno[3,2-d]pyrimidin-4-one is O=c1[nH]cnc2ccsc12.
What is the InChIKey of 3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is PZMKGWRBZNOIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2OS/c9-6-5-4(1-2-10-5)7-3-8-6/h1-3H,(H,7,8,9).
What are the key properties of 3H-thieno[3,2-d]pyrimidin-4-one?
3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 152.18 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135417422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).