(2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

C11H9N3OS — CID 97211396

IUPAC(2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1N[C@@H](c2cccs2)Nc2ncccc21
InChIInChI=1S/C11H9N3OS/c15-11-7-3-1-5-12-9(7)13-10(14-11)8-4-2-6-16-8/h1-6,10H,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKeyIRVBNURRQMPKNJ-JTQLQIEISA-N
MW231.28 g/mol
LogP2.00
Rot. Bonds1

About (2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

(2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 97211396) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is (2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name(2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID97211396
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name(2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1N[C@@H](c2cccs2)Nc2ncccc21
InChIInChI=1S/C11H9N3OS/c15-11-7-3-1-5-12-9(7)13-10(14-11)8-4-2-6-16-8/h1-6,10H,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKeyIRVBNURRQMPKNJ-JTQLQIEISA-N
XLogP2.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of (2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 97211396) is (2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for (2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for (2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is O=C1N[C@@H](c2cccs2)Nc2ncccc21.
What is the InChIKey of (2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is IRVBNURRQMPKNJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H9N3OS/c15-11-7-3-1-5-12-9(7)13-10(14-11)8-4-2-6-16-8/h1-6,10H,(H,12,13)(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
(2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 231.28 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-thiophen-2-yl-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 97211396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).