2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one

C10H13FN2O2 — CID 136997704

IUPAC2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCOC(c1nc(C)c(F)c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H13FN2O2/c1-5-7(11)10(14)13-9(12-5)8(15-2)6-3-4-6/h6,8H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyVVPGXTDKDFPXKS-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.31
Rot. Bonds3

About 2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one

2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (PubChem CID 136997704) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
PubChem CID136997704
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
SMILESCOC(c1nc(C)c(F)c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H13FN2O2/c1-5-7(11)10(14)13-9(12-5)8(15-2)6-3-4-6/h6,8H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyVVPGXTDKDFPXKS-UHFFFAOYSA-N
XLogP1.31
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxyethyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136228728
5-fluoro-4-methyl-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136228887
5-fluoro-2-(1-methoxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136283827
2-(1-ethoxy-2,2-dimethylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136983233
2-[cyclopropyl(ethoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136997697
5-fluoro-2-(1-methoxycyclobutyl)-4-methyl-1H-pyrimidin-6-one
CID 136997698
2-(1-ethoxy-2-methylpropyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136997700
5-fluoro-2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one
CID 136997701
5-fluoro-2-(1-methoxypropyl)-4-methyl-1H-pyrimidin-6-one
CID 136997702
2-(1-ethoxybutyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136997703
5-fluoro-2-(1-methoxy-2-methylpropyl)-4-methyl-1H-pyrimidin-6-one
CID 136997705
5-fluoro-2-(1-methoxy-2,2-dimethylpropyl)-4-methyl-1H-pyrimidin-6-one
CID 136997706

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one (CID 136997704) is 2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is COC(c1nc(C)c(F)c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
The InChIKey is VVPGXTDKDFPXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-5-7(11)10(14)13-9(12-5)8(15-2)6-3-4-6/h6,8H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one?
2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one has a molecular weight of 212.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136997704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).