2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one

C13H20N2O2 — CID 136773812

IUPAC2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(C2(OC)CCCC2)n1
InChIInChI=1S/C13H20N2O2/c1-3-6-10-9-11(16)15-12(14-10)13(17-2)7-4-5-8-13/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyZZBMITFCUFVOAV-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.14
Rot. Bonds4

About 2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one

2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136773812) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one
PubChem CID136773812
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(C2(OC)CCCC2)n1
InChIInChI=1S/C13H20N2O2/c1-3-6-10-9-11(16)15-12(14-10)13(17-2)7-4-5-8-13/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyZZBMITFCUFVOAV-UHFFFAOYSA-N
XLogP2.14
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136286928
4-ethyl-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136286934
2-(2-methyloxan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136287884
4-tert-butyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287886
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
2-(2-methyloxolan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136297971
4-tert-butyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136297974
4-ethyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136297975

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one (CID 136773812) is 2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(C2(OC)CCCC2)n1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is ZZBMITFCUFVOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-6-10-9-11(16)15-12(14-10)13(17-2)7-4-5-8-13/h9H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one?
2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136773812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).