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

C13H18N2O2 — CID 136982256

IUPAC2-(3-methylcyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCC1CCC(c2nc3c(c(=O)[nH]2)COCC3)C1
InChIInChI=1S/C13H18N2O2/c1-8-2-3-9(6-8)12-14-11-4-5-17-7-10(11)13(16)15-12/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyAAFNXCNISTTXCF-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.75
Rot. Bonds1

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

2-(3-methylcyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136982256) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(3-methylcyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methylcyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136982256
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(3-methylcyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCC1CCC(c2nc3c(c(=O)[nH]2)COCC3)C1
InChIInChI=1S/C13H18N2O2/c1-8-2-3-9(6-8)12-14-11-4-5-17-7-10(11)13(16)15-12/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyAAFNXCNISTTXCF-UHFFFAOYSA-N
XLogP1.75
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-Difluorocyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 137010989
2-[(Cyclopentylmethylamino)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136630000
2-Butan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696218
2-Ethyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696292
(4S)-4-methyl-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]hexanamide
CID 140664434
Ethane;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144917811
Ethane;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144917824
2-(4-Methoxybutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 149489962
2-(3-Cyclopropylpropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 161304462
2-(Pyrrolidin-3-ylmethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136671946
2-Piperidin-4-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136671948
2-(4-Ethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696135

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-methylcyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136982256) is 2-(3-methylcyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methylcyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-methylcyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CC1CCC(c2nc3c(c(=O)[nH]2)COCC3)C1.
What is the InChIKey of 2-(3-methylcyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is AAFNXCNISTTXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-2-3-9(6-8)12-14-11-4-5-17-7-10(11)13(16)15-12/h8-9H,2-7H2,1H3,(H,14,15,16).
What are the key properties of 2-(3-methylcyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(3-methylcyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 234.30 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclopentyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136982256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).