4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one

C14H20N2O2 — CID 136983286

IUPAC4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C3CCCC3)cc(=O)[nH]2)CCC1
InChIInChI=1S/C14H20N2O2/c1-18-14(7-4-8-14)13-15-11(9-12(17)16-13)10-5-2-3-6-10/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKeyYANXWHMEOXJHST-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.45
Rot. Bonds3

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

4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one (PubChem CID 136983286) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
PubChem CID136983286
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C3CCCC3)cc(=O)[nH]2)CCC1
InChIInChI=1S/C14H20N2O2/c1-18-14(7-4-8-14)13-15-11(9-12(17)16-13)10-5-2-3-6-10/h9-10H,2-8H2,1H3,(H,15,16,17)
InChIKeyYANXWHMEOXJHST-UHFFFAOYSA-N
XLogP2.45
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 136964163
4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 136963776
4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705665
2-(1-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963554
4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 136773806
2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963567
4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 136729426
6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione
CID 106481818
methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate
CID 136729563
4-cyclopropyl-2-(1-phenylcyclobutyl)-1H-pyrimidin-6-one
CID 135975537
2-(1-methoxycyclobutyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136965435
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one (CID 136983286) is 4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one is COC1(c2nc(C3CCCC3)cc(=O)[nH]2)CCC1.
What is the InChIKey of 4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
The InChIKey is YANXWHMEOXJHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-14(7-4-8-14)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-(1-methoxycyclobutyl)-1H-pyrimidin-6-one?
4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136983286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).