5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one

C10H13FN2O2 — CID 136886269

IUPAC5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1nc(CC2CCOC2)[nH]c(=O)c1F
InChIInChI=1S/C10H13FN2O2/c1-6-9(11)10(14)13-8(12-6)4-7-2-3-15-5-7/h7H,2-5H2,1H3,(H,12,13,14)
InChIKeyGOVPQDNAYJNBRB-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.80
Rot. Bonds2

About 5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one

5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136886269) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136886269
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCc1nc(CC2CCOC2)[nH]c(=O)c1F
InChIInChI=1S/C10H13FN2O2/c1-6-9(11)10(14)13-8(12-6)4-7-2-3-15-5-7/h7H,2-5H2,1H3,(H,12,13,14)
InChIKeyGOVPQDNAYJNBRB-UHFFFAOYSA-N
XLogP0.80
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one (CID 136886269) is 5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is Cc1nc(CC2CCOC2)[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is GOVPQDNAYJNBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-6-9(11)10(14)13-8(12-6)4-7-2-3-15-5-7/h7H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one?
5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 212.22 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-(oxolan-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136886269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).