2-(3-ethyl-2-pyridinyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C14H15N3O2 — CID 136696173

IUPAC2-(3-ethyl-2-pyridinyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCCc1cccnc1-c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C14H15N3O2/c1-2-9-4-3-6-15-12(9)13-16-11-5-7-19-8-10(11)14(18)17-13/h3-4,6H,2,5,7-8H2,1H3,(H,16,17,18)
InChIKeyBNPKOIAAKAUYTD-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.47
Rot. Bonds2

About 2-(3-ethyl-2-pyridinyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(3-ethyl-2-pyridinyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696173) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(3-ethyl-2-pyridinyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-ethyl-2-pyridinyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696173
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(3-ethyl-2-pyridinyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCCc1cccnc1-c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C14H15N3O2/c1-2-9-4-3-6-15-12(9)13-16-11-5-7-19-8-10(11)14(18)17-13/h3-4,6H,2,5,7-8H2,1H3,(H,16,17,18)
InChIKeyBNPKOIAAKAUYTD-UHFFFAOYSA-N
XLogP1.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-pyridinyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-ethyl-2-pyridinyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696173) is 2-(3-ethyl-2-pyridinyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-ethyl-2-pyridinyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-ethyl-2-pyridinyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CCc1cccnc1-c1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of 2-(3-ethyl-2-pyridinyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is BNPKOIAAKAUYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-9-4-3-6-15-12(9)13-16-11-5-7-19-8-10(11)14(18)17-13/h3-4,6H,2,5,7-8H2,1H3,(H,16,17,18).
What are the key properties of 2-(3-ethyl-2-pyridinyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(3-ethyl-2-pyridinyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 257.29 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-pyridinyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).