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

C12H16N2O2 — CID 136696332

IUPAC2-cyclopentyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCC2)nc2c1COCC2
InChIInChI=1S/C12H16N2O2/c15-12-9-7-16-6-5-10(9)13-11(14-12)8-3-1-2-4-8/h8H,1-7H2,(H,13,14,15)
InChIKeyZWKSUDUKMHTIHV-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.50
Rot. Bonds1

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

2-cyclopentyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696332) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-cyclopentyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696332
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-cyclopentyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2CCCC2)nc2c1COCC2
InChIInChI=1S/C12H16N2O2/c15-12-9-7-16-6-5-10(9)13-11(14-12)8-3-1-2-4-8/h8H,1-7H2,(H,13,14,15)
InChIKeyZWKSUDUKMHTIHV-UHFFFAOYSA-N
XLogP1.50
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.50
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
3-(4-Oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)propanamide
CID 136627273
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-(Pyrrolidin-2-ylmethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136671947

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-cyclopentyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696332) is 2-cyclopentyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopentyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclopentyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2CCCC2)nc2c1COCC2.
What is the InChIKey of 2-cyclopentyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is ZWKSUDUKMHTIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12-9-7-16-6-5-10(9)13-11(14-12)8-3-1-2-4-8/h8H,1-7H2,(H,13,14,15).
What are the key properties of 2-cyclopentyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-cyclopentyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 220.27 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).