4-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one

C14H22N2O2 — CID 136773813

IUPAC4-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C(C)(C)C)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C14H22N2O2/c1-13(2,3)10-9-11(17)16-12(15-10)14(18-4)7-5-6-8-14/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyGEGFNARVZIUZSR-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.48
Rot. Bonds2

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

4-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (PubChem CID 136773813) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
PubChem CID136773813
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C(C)(C)C)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C14H22N2O2/c1-13(2,3)10-9-11(17)16-12(15-10)14(18-4)7-5-6-8-14/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyGEGFNARVZIUZSR-UHFFFAOYSA-N
XLogP2.48
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773823
4-tert-butyl-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136274222
4-tert-butyl-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136286929
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
2-(2-methyloxan-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136287917
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
2-(2-methyloxolan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136297978

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one (CID 136773813) is 4-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is COC1(c2nc(C(C)(C)C)cc(=O)[nH]2)CCCC1.
What is the InChIKey of 4-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
The InChIKey is GEGFNARVZIUZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-13(2,3)10-9-11(17)16-12(15-10)14(18-4)7-5-6-8-14/h9H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 4-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one?
4-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136773813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).