5-cyclopentyl-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one

C14H22N2O3 — CID 116706061

IUPAC5-cyclopentyl-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(C)(C)c1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C14H22N2O3/c1-4-19-14(2,3)13-15-11(17)10(12(18)16-13)9-7-5-6-8-9/h9H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyMLHLWWKOHZIFID-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.40
Rot. Bonds4

About 5-cyclopentyl-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one

5-cyclopentyl-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116706061) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-cyclopentyl-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116706061
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-cyclopentyl-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(C)(C)c1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C14H22N2O3/c1-4-19-14(2,3)13-15-11(17)10(12(18)16-13)9-7-5-6-8-9/h9H,4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyMLHLWWKOHZIFID-UHFFFAOYSA-N
XLogP2.40
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103473516
5-cyclopentyl-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 46734415
5-cyclopentyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one
CID 46734457
2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 46734501
4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 79201546
4-hydroxy-2-(2-methyloxolan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 80166288
4-hydroxy-2-(2-methyloxan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 80691643
5-cyclopentyl-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927190
5-cyclopentyl-4-hydroxy-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104249193
5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609915
4-hydroxy-2-(1-methoxycyclopentyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 104609916
5-cyclopentyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609940

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 116706061) is 5-cyclopentyl-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one is CCOC(C)(C)c1nc(O)c(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopentyl-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is MLHLWWKOHZIFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-19-14(2,3)13-15-11(17)10(12(18)16-13)9-7-5-6-8-9/h9H,4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 5-cyclopentyl-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
5-cyclopentyl-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116706061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).