6-(difluoromethyl)-3-(oxolan-2-ylmethyl)pyrimidin-4-one

C10H12F2N2O2 — CID 126857686

IUPAC6-(difluoromethyl)-3-(oxolan-2-ylmethyl)pyrimidin-4-one
SMILESO=c1cc(C(F)F)ncn1CC1CCCO1
InChIInChI=1S/C10H12F2N2O2/c11-10(12)8-4-9(15)14(6-13-8)5-7-2-1-3-16-7/h4,6-7,10H,1-3,5H2
InChIKeyJJJJADDITSMSDU-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.36
Rot. Bonds3

About 6-(difluoromethyl)-3-(oxolan-2-ylmethyl)pyrimidin-4-one

6-(difluoromethyl)-3-(oxolan-2-ylmethyl)pyrimidin-4-one (PubChem CID 126857686) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-(oxolan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-3-(oxolan-2-ylmethyl)pyrimidin-4-one
PubChem CID126857686
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name6-(difluoromethyl)-3-(oxolan-2-ylmethyl)pyrimidin-4-one
SMILESO=c1cc(C(F)F)ncn1CC1CCCO1
InChIInChI=1S/C10H12F2N2O2/c11-10(12)8-4-9(15)14(6-13-8)5-7-2-1-3-16-7/h4,6-7,10H,1-3,5H2
InChIKeyJJJJADDITSMSDU-UHFFFAOYSA-N
XLogP1.36
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-3-(oxolan-2-ylmethyl)pyrimidin-4-one (CID 126857686) is 6-(difluoromethyl)-3-(oxolan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-3-(oxolan-2-ylmethyl)pyrimidin-4-one is O=c1cc(C(F)F)ncn1CC1CCCO1.
What is the InChIKey of 6-(difluoromethyl)-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is JJJJADDITSMSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c11-10(12)8-4-9(15)14(6-13-8)5-7-2-1-3-16-7/h4,6-7,10H,1-3,5H2.
What are the key properties of 6-(difluoromethyl)-3-(oxolan-2-ylmethyl)pyrimidin-4-one?
6-(difluoromethyl)-3-(oxolan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 230.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-(oxolan-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 126857686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).