4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one

C15H22N2O2 — CID 136729567

IUPAC4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
SMILESCC1(c2nc(C3CCCC3)cc(=O)[nH]2)CCCCO1
InChIInChI=1S/C15H22N2O2/c1-15(8-4-5-9-19-15)14-16-12(10-13(18)17-14)11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyYBJLEWOYVAWDIJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.84
Rot. Bonds2

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

4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one (PubChem CID 136729567) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
PubChem CID136729567
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
SMILESCC1(c2nc(C3CCCC3)cc(=O)[nH]2)CCCCO1
InChIInChI=1S/C15H22N2O2/c1-15(8-4-5-9-19-15)14-16-12(10-13(18)17-14)11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,16,17,18)
InChIKeyYBJLEWOYVAWDIJ-UHFFFAOYSA-N
XLogP2.84
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106481839
5-iodo-2-(2-methyloxan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136287882
4-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287883
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-ethyl-5-iodo-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287891
5-ethyl-4-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287893
2-(2-Methyloxan-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136287897
5-iodo-2-(2-methyloxan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136287899
4-(methoxymethyl)-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287902

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one (CID 136729567) is 4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one is CC1(c2nc(C3CCCC3)cc(=O)[nH]2)CCCCO1.
What is the InChIKey of 4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is YBJLEWOYVAWDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(8-4-5-9-19-15)14-16-12(10-13(18)17-14)11-6-2-3-7-11/h10-11H,2-9H2,1H3,(H,16,17,18).
What are the key properties of 4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 262.35 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136729567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).