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

C14H21N3O2 — CID 136729455

IUPAC4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCN1CCOC(c2nc(C3CCCC3)cc(=O)[nH]2)C1
InChIInChI=1S/C14H21N3O2/c1-17-6-7-19-12(9-17)14-15-11(8-13(18)16-14)10-4-2-3-5-10/h8,10,12H,2-7,9H2,1H3,(H,15,16,18)
InChIKeyZYMDVJXNSXYJGK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.43
Rot. Bonds2

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

4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one (PubChem CID 136729455) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
PubChem CID136729455
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
SMILESCN1CCOC(c2nc(C3CCCC3)cc(=O)[nH]2)C1
InChIInChI=1S/C14H21N3O2/c1-17-6-7-19-12(9-17)14-15-11(8-13(18)16-14)10-4-2-3-5-10/h8,10,12H,2-7,9H2,1H3,(H,15,16,18)
InChIKeyZYMDVJXNSXYJGK-UHFFFAOYSA-N
XLogP1.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one (CID 136729455) is 4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one is CN1CCOC(c2nc(C3CCCC3)cc(=O)[nH]2)C1.
What is the InChIKey of 4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
The InChIKey is ZYMDVJXNSXYJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17-6-7-19-12(9-17)14-15-11(8-13(18)16-14)10-4-2-3-5-10/h8,10,12H,2-7,9H2,1H3,(H,15,16,18).
What are the key properties of 4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one?
4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136729455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).