4,6-dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine

C8H5Cl2FN4 — CID 114554011

IUPAC4,6-dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine
SMILESCn1nccc1-c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H5Cl2FN4/c1-15-4(2-3-12-15)8-13-6(9)5(11)7(10)14-8/h2-3H,1H3
InChIKeyLGLOAHYVBYYUDT-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.32
Rot. Bonds1

About 4,6-dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine

4,6-dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine (PubChem CID 114554011) has the molecular formula C8H5Cl2FN4 and a molecular weight of 247.06 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine
PubChem CID114554011
Molecular FormulaC8H5Cl2FN4
Molecular Weight247.06 g/mol
Exact Mass245.99
IUPAC Name4,6-dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine
SMILESCn1nccc1-c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C8H5Cl2FN4/c1-15-4(2-3-12-15)8-13-6(9)5(11)7(10)14-8/h2-3H,1H3
InChIKeyLGLOAHYVBYYUDT-UHFFFAOYSA-N
XLogP2.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 60758794
N-[(2-isopropylpyrimidin-4-yl)methyl]-N-methyl-2-(1H-pyrazol-1-yl)ethanamine
CID 77088979
4-[4-[(2-Ethylpyrazol-3-yl)methyl]piperazin-1-yl]-2-methylpyrimidine
CID 86791685
5-fluoro-N-methyl-N-((1-methyl-1H-pyrazol-5-yl)methyl)pyrimidin-2-amine
CID 121020810
5-Fluoro-2,4-dimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidine
CID 138013502
2-Chloro-6-[3-(trifluoromethyl)-1h-pyrazol-1-yl]pyrimidine
CID 21267743
4-chloro-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pyrimidine
CID 21267748
2-(1H-Pyrazol-3-YL)-4-(trifluoromethyl)pyrimidine
CID 50984466
4,6-Dichloro-2-(3-trifluoromethyl-pyrazol-1-yl)-pyrimidine
CID 58282694
2-(3-Methylpyrazol-1-yl)-4-(trifluoromethyl)pyrimidine
CID 64587019
6-Chloro-7-fluoro-5-methylpyrazolo[1,5-a]pyrimidine
CID 69008047
[2-(4-Fluoro-1,5-dimethylpyrazol-3-yl)pyrimidin-4-yl]methanamine
CID 70967709

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine (CID 114554011) is 4,6-dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine is Cn1nccc1-c1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine?
The InChIKey is LGLOAHYVBYYUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FN4/c1-15-4(2-3-12-15)8-13-6(9)5(11)7(10)14-8/h2-3H,1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine?
4,6-dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine has a molecular weight of 247.06 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(2-methylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 114554011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).