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

C8H10N2O2 — CID 105432959

IUPAC4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one
SMILESCc1[nH]c(=O)nc2c1COCC2
InChIInChI=1S/C8H10N2O2/c1-5-6-4-12-3-2-7(6)10-8(11)9-5/h2-4H2,1H3,(H,9,10,11)
InChIKeyHXDBFGAITFDPAM-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.15
Rot. Bonds

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

4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one (PubChem CID 105432959) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one
PubChem CID105432959
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one
SMILESCc1[nH]c(=O)nc2c1COCC2
InChIInChI=1S/C8H10N2O2/c1-5-6-4-12-3-2-7(6)10-8(11)9-5/h2-4H2,1H3,(H,9,10,11)
InChIKeyHXDBFGAITFDPAM-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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Related Compounds

3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 70661479
2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696454
2-pyrrolidin-1-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696263
4-methyl-6,7-dihydro-3H-cyclopenta[d]pyrimidine-2,5-dione
CID 83861344
2-(methylsulfanylmethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696358
2-[(1S)-1-(methylamino)ethyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 137060794
2-butyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696247
2-(oxan-4-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696313
2-(4-methyl-1,3-thiazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136982286
2,4-bis(methylsulfonyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 59634358
2-(1-methylimidazol-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696378
2-(2,3-dimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696451

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one?
The IUPAC name of 4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one (CID 105432959) is 4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one?
The canonical SMILES for 4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one is Cc1[nH]c(=O)nc2c1COCC2.
What is the InChIKey of 4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one?
The InChIKey is HXDBFGAITFDPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-6-4-12-3-2-7(6)10-8(11)9-5/h2-4H2,1H3,(H,9,10,11).
What are the key properties of 4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one?
4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-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 4-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 105432959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).