2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C8H10N2O2 — CID 135741851

IUPAC2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C8H10N2O2/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
InChIKeyHAQKJTYYFJFWSB-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.15
Rot. Bonds

About 2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 135741851) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID135741851
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C8H10N2O2/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
InChIKeyHAQKJTYYFJFWSB-UHFFFAOYSA-N
XLogP0.15
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 135741851) is 2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of 2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is HAQKJTYYFJFWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11).
What are the key properties of 2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 166.18 g/mol, XLogP of 0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135741851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).