4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one

C9H11FN2O2 — CID 134556313

IUPAC4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC2CC2)c(F)c(=O)[nH]1
InChIInChI=1S/C9H11FN2O2/c1-5-11-8(13)7(10)9(12-5)14-4-6-2-3-6/h6H,2-4H2,1H3,(H,11,12,13)
InChIKeyDYMRIRZOWTVNDD-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.01
Rot. Bonds3

About 4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one

4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one (PubChem CID 134556313) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one
PubChem CID134556313
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC2CC2)c(F)c(=O)[nH]1
InChIInChI=1S/C9H11FN2O2/c1-5-11-8(13)7(10)9(12-5)14-4-6-2-3-6/h6H,2-4H2,1H3,(H,11,12,13)
InChIKeyDYMRIRZOWTVNDD-UHFFFAOYSA-N
XLogP1.01
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethoxy)-2-ethyl-5-fluoro-1H-pyrimidin-6-one
CID 134559282
2-tert-butyl-4-(cyclopropylmethoxy)-5-fluoro-1H-pyrimidin-6-one
CID 139460569
2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240545
2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 103241902
2-methyl-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241916
2-cyclopropyl-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 113792801
2-propan-2-yl-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 113792803
2-cyclopropyl-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 113792804
2-Cyclopropyl-6-ethoxypyrimidin-4(1H)-one
CID 12945284
2-cyclopropyl-4-propoxy-1H-pyrimidin-6-one
CID 12945288
2-cyclopropyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240606
2-methyl-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240610

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one (CID 134556313) is 4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one is Cc1nc(OCC2CC2)c(F)c(=O)[nH]1.
What is the InChIKey of 4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one?
The InChIKey is DYMRIRZOWTVNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-5-11-8(13)7(10)9(12-5)14-4-6-2-3-6/h6H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one?
4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one has a molecular weight of 198.20 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 134556313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).