2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one

C13H20N2O2 — CID 136730173

IUPAC2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C13H20N2O2/c1-2-5-10-8-13(16)15-12(14-10)9-11-6-3-4-7-17-11/h8,11H,2-7,9H2,1H3,(H,14,15,16)
InChIKeyXECMILJFLNSKFI-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.83
Rot. Bonds4

About 2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one

2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136730173) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one
PubChem CID136730173
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(CC2CCCCO2)n1
InChIInChI=1S/C13H20N2O2/c1-2-5-10-8-13(16)15-12(14-10)9-11-6-3-4-7-17-11/h8,11H,2-7,9H2,1H3,(H,14,15,16)
InChIKeyXECMILJFLNSKFI-UHFFFAOYSA-N
XLogP1.83
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730197
4-cyclopropyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 135975504
2-(oxan-3-yl)-4-propyl-1H-pyrimidin-6-one
CID 136067491
4-tert-butyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136154692
4-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136157305
4-(2-methylpropyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136298828
4-(2-methylpropyl)-2-(oxan-3-yl)-1H-pyrimidin-6-one
CID 136298908
4-(2-aminoethyl)-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136303768
2-Butyl-6-(3-methoxy-propyl)-pyrimidin-4-ol
CID 136678762
6-(3-Methoxy-propyl)-2-pentyl-pyrimidin-4-ol
CID 136678771
4-amino-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730161
4-methyl-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136730171

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one (CID 136730173) is 2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(CC2CCCCO2)n1.
What is the InChIKey of 2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is XECMILJFLNSKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-5-10-8-13(16)15-12(14-10)9-11-6-3-4-7-17-11/h8,11H,2-7,9H2,1H3,(H,14,15,16).
What are the key properties of 2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one?
2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethyl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136730173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).