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

C12H16N2OS — CID 116620736

IUPAC3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)CCCn1cnc2ccsc2c1=O
InChIInChI=1S/C12H16N2OS/c1-9(2)4-3-6-14-8-13-10-5-7-16-11(10)12(14)15/h5,7-9H,3-4,6H2,1-2H3
InChIKeyHDAQUTRXGGUJRA-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.89
Rot. Bonds4

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

3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 116620736) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID116620736
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)CCCn1cnc2ccsc2c1=O
InChIInChI=1S/C12H16N2OS/c1-9(2)4-3-6-14-8-13-10-5-7-16-11(10)12(14)15/h5,7-9H,3-4,6H2,1-2H3
InChIKeyHDAQUTRXGGUJRA-UHFFFAOYSA-N
XLogP2.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one (CID 116620736) is 3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one is CC(C)CCCn1cnc2ccsc2c1=O.
What is the InChIKey of 3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is HDAQUTRXGGUJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9(2)4-3-6-14-8-13-10-5-7-16-11(10)12(14)15/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one?
3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 236.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 116620736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).