(2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

C14H10N6OS — CID 97050579

IUPAC(2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1N[C@@H](c2cnc(-c3cnccn3)s2)Nc2ncccc21
InChIInChI=1S/C14H10N6OS/c21-13-8-2-1-3-17-11(8)19-12(20-13)10-7-18-14(22-10)9-6-15-4-5-16-9/h1-7,12H,(H,17,19)(H,20,21)/t12-/m0/s1
InChIKeyLMIHCHGIHULXGP-LBPRGKRZSA-N
MW310.34 g/mol
LogP1.85
Rot. Bonds2

About (2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one

(2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 97050579) has the molecular formula C14H10N6OS and a molecular weight of 310.34 g/mol. Its IUPAC name is (2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name(2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID97050579
Molecular FormulaC14H10N6OS
Molecular Weight310.34 g/mol
Exact Mass310.06
IUPAC Name(2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=C1N[C@@H](c2cnc(-c3cnccn3)s2)Nc2ncccc21
InChIInChI=1S/C14H10N6OS/c21-13-8-2-1-3-17-11(8)19-12(20-13)10-7-18-14(22-10)9-6-15-4-5-16-9/h1-7,12H,(H,17,19)(H,20,21)/t12-/m0/s1
InChIKeyLMIHCHGIHULXGP-LBPRGKRZSA-N
XLogP1.85
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of (2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one (CID 97050579) is (2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for (2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for (2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is O=C1N[C@@H](c2cnc(-c3cnccn3)s2)Nc2ncccc21.
What is the InChIKey of (2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is LMIHCHGIHULXGP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H10N6OS/c21-13-8-2-1-3-17-11(8)19-12(20-13)10-7-18-14(22-10)9-6-15-4-5-16-9/h1-7,12H,(H,17,19)(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one?
(2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 310.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 97050579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).