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

C14H22N2O2 — CID 136773839

IUPAC2-(1-methoxycyclopentyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(CC(C)C)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C14H22N2O2/c1-10(2)8-11-9-12(17)16-13(15-11)14(18-3)6-4-5-7-14/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyNLOKKTLVGRZUNN-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.38
Rot. Bonds4

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

2-(1-methoxycyclopentyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one (PubChem CID 136773839) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
PubChem CID136773839
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(1-methoxycyclopentyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(CC(C)C)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C14H22N2O2/c1-10(2)8-11-9-12(17)16-13(15-11)14(18-3)6-4-5-7-14/h9-10H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyNLOKKTLVGRZUNN-UHFFFAOYSA-N
XLogP2.38
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-4-propyl-1H-pyrimidin-6-one
CID 136085105
2-(2-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136286928
2-(2-methoxypropan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136286935
4-cyclopropyl-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136286955
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclopentyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one (CID 136773839) is 2-(1-methoxycyclopentyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclopentyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one is COC1(c2nc(CC(C)C)cc(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
The InChIKey is NLOKKTLVGRZUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)8-11-9-12(17)16-13(15-11)14(18-3)6-4-5-7-14/h9-10H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(1-methoxycyclopentyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one?
2-(1-methoxycyclopentyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 2.38, 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-(2-methylpropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136773839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).