4-fluoro-5-methoxy-2-(pyrazol-1-ylmethyl)pyrimidine

C9H9FN4O — CID 164660035

IUPAC4-fluoro-5-methoxy-2-(pyrazol-1-ylmethyl)pyrimidine
SMILESCOc1cnc(Cn2cccn2)nc1F
InChIInChI=1S/C9H9FN4O/c1-15-7-5-11-8(13-9(7)10)6-14-4-2-3-12-14/h2-5H,6H2,1H3
InChIKeyVKHDKQGOJKVFGJ-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.87
Rot. Bonds3

About 4-fluoro-5-methoxy-2-(pyrazol-1-ylmethyl)pyrimidine

4-fluoro-5-methoxy-2-(pyrazol-1-ylmethyl)pyrimidine (PubChem CID 164660035) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-2-(pyrazol-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-2-(pyrazol-1-ylmethyl)pyrimidine
PubChem CID164660035
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name4-fluoro-5-methoxy-2-(pyrazol-1-ylmethyl)pyrimidine
SMILESCOc1cnc(Cn2cccn2)nc1F
InChIInChI=1S/C9H9FN4O/c1-15-7-5-11-8(13-9(7)10)6-14-4-2-3-12-14/h2-5H,6H2,1H3
InChIKeyVKHDKQGOJKVFGJ-UHFFFAOYSA-N
XLogP0.87
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-Trifluoroethyl 2-[[4-(4-methoxypyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetate
CID 23545972
1-[2-[5-(Difluoromethoxy)pyrimidin-2-yl]-1,2,4-triazol-3-yl]ethanamine
CID 166568105
2-(4-Fluoropyrazol-1-yl)-6-methoxypyrazine
CID 169574321
5-Fluoro-2-(methoxymethyl)-4-pyrazol-1-ylpyrimidine
CID 169574561
3-(4-Fluoropyrazol-1-yl)-6-methoxy-1,2,4-triazine
CID 169574943
2-(4-Fluoropyrazol-1-yl)-5-methoxypyrimidine
CID 169574962
2-(4-Fluoropyrazol-1-yl)-5-methoxypyrazine
CID 169574990
6-(2,2-Difluoroethoxy)pyrazolo[1,5-a]pyrimidine
CID 171505650
8-Methoxy-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidine
CID 357166
1-(Difluoromethyl)-2-[(1-ethylpyrazol-4-yl)oxymethyl]imidazole
CID 99822156
4-Chloro-6-(4-methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 114273919
5-fluoro-4-(4-methoxypyrazol-1-yl)-N-propylpyrimidin-2-amine
CID 114274021

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-2-(pyrazol-1-ylmethyl)pyrimidine?
The IUPAC name of 4-fluoro-5-methoxy-2-(pyrazol-1-ylmethyl)pyrimidine (CID 164660035) is 4-fluoro-5-methoxy-2-(pyrazol-1-ylmethyl)pyrimidine.
What is the SMILES notation for 4-fluoro-5-methoxy-2-(pyrazol-1-ylmethyl)pyrimidine?
The canonical SMILES for 4-fluoro-5-methoxy-2-(pyrazol-1-ylmethyl)pyrimidine is COc1cnc(Cn2cccn2)nc1F.
What is the InChIKey of 4-fluoro-5-methoxy-2-(pyrazol-1-ylmethyl)pyrimidine?
The InChIKey is VKHDKQGOJKVFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-15-7-5-11-8(13-9(7)10)6-14-4-2-3-12-14/h2-5H,6H2,1H3.
What are the key properties of 4-fluoro-5-methoxy-2-(pyrazol-1-ylmethyl)pyrimidine?
4-fluoro-5-methoxy-2-(pyrazol-1-ylmethyl)pyrimidine has a molecular weight of 208.20 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-2-(pyrazol-1-ylmethyl)pyrimidine is sourced from PubChem (CID 164660035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).