3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one

C16H16N2O2S — CID 39826529

IUPAC3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCC[C@@H](O)Cn1cnc2cc(-c3ccccc3)sc2c1=O
InChIInChI=1S/C16H16N2O2S/c1-2-12(19)9-18-10-17-13-8-14(21-15(13)16(18)20)11-6-4-3-5-7-11/h3-8,10,12,19H,2,9H2,1H3/t12-/m1/s1
InChIKeyHDVRHCFDUSSSLT-GFCCVEGCSA-N
MW300.38 g/mol
LogP2.90
Rot. Bonds4

About 3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one

3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 39826529) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID39826529
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCC[C@@H](O)Cn1cnc2cc(-c3ccccc3)sc2c1=O
InChIInChI=1S/C16H16N2O2S/c1-2-12(19)9-18-10-17-13-8-14(21-15(13)16(18)20)11-6-4-3-5-7-11/h3-8,10,12,19H,2,9H2,1H3/t12-/m1/s1
InChIKeyHDVRHCFDUSSSLT-GFCCVEGCSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one (CID 39826529) is 3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one is CC[C@@H](O)Cn1cnc2cc(-c3ccccc3)sc2c1=O.
What is the InChIKey of 3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is HDVRHCFDUSSSLT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-12(19)9-18-10-17-13-8-14(21-15(13)16(18)20)11-6-4-3-5-7-11/h3-8,10,12,19H,2,9H2,1H3/t12-/m1/s1.
What are the key properties of 3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one?
3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 300.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 39826529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).