4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one

C14H20N2O2 — CID 136729590

IUPAC4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
SMILESCC1(c2nc(C3CCCC3)cc(=O)[nH]2)CCCO1
InChIInChI=1S/C14H20N2O2/c1-14(7-4-8-18-14)13-15-11(9-12(17)16-13)10-5-2-3-6-10/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKeyZJLUFYHAXQYZFV-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.45
Rot. Bonds2

About 4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one

4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one (PubChem CID 136729590) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
PubChem CID136729590
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
SMILESCC1(c2nc(C3CCCC3)cc(=O)[nH]2)CCCO1
InChIInChI=1S/C14H20N2O2/c1-14(7-4-8-18-14)13-15-11(9-12(17)16-13)10-5-2-3-6-10/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKeyZJLUFYHAXQYZFV-UHFFFAOYSA-N
XLogP2.45
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidine-4-thione
CID 106481996
2-(oxolan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136274221
4-tert-butyl-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136274222
4-ethyl-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136274223
2-(oxolan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136274224
4-cyclopropyl-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136274233
2-(2-methyloxan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136287884
4-ethyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287887
2-(2-methyloxan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136287889
4-cyclopropyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287909
2-(2-methyloxan-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136287917
4-cyclopropyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136297956

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one (CID 136729590) is 4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one is CC1(c2nc(C3CCCC3)cc(=O)[nH]2)CCCO1.
What is the InChIKey of 4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is ZJLUFYHAXQYZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(7-4-8-18-14)13-15-11(9-12(17)16-13)10-5-2-3-6-10/h9-10H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one?
4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136729590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).