4-(3,5-dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine

C15H13FN4O — CID 7314799

IUPAC4-(3,5-dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine
SMILESCc1cc(C)n(-c2cc(Oc3ccccc3F)ncn2)n1
InChIInChI=1S/C15H13FN4O/c1-10-7-11(2)20(19-10)14-8-15(18-9-17-14)21-13-6-4-3-5-12(13)16/h3-9H,1-2H3
InChIKeyZJGKCKHDGQZROY-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.21
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine

4-(3,5-dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine (PubChem CID 7314799) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine
PubChem CID7314799
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine
SMILESCc1cc(C)n(-c2cc(Oc3ccccc3F)ncn2)n1
InChIInChI=1S/C15H13FN4O/c1-10-7-11(2)20(19-10)14-8-15(18-9-17-14)21-13-6-4-3-5-12(13)16/h3-9H,1-2H3
InChIKeyZJGKCKHDGQZROY-UHFFFAOYSA-N
XLogP3.21
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 522990
5-methyl-N-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 1460771
N-[4-(difluoromethoxy)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263415
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-ethoxyphenyl)-6-methylpyrimidin-4-amine
CID 658308
4-phenoxy-6-(1H-pyrazol-1-yl)pyrimidine
CID 661390
2-(4-(2,6-difluorophenoxy)-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl)pyrimidine
CID 118430649
4-(4-Methylpyrazol-1-yl)-6-phenoxypyrimidine
CID 661295
6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl 4-methylphenyl ether
CID 850309
4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine
CID 850354
N'-{7-[1-(3-fluorophenoxy)ethyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}-N,N-dimethyliminoformamide
CID 9634425
N-(3-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 43816783
phenyl 6-(1H-1,2,4-triazol-1-yl)-4-pyrimidinyl ether
CID 850345

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine (CID 7314799) is 4-(3,5-dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine is Cc1cc(C)n(-c2cc(Oc3ccccc3F)ncn2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine?
The InChIKey is ZJGKCKHDGQZROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-10-7-11(2)20(19-10)14-8-15(18-9-17-14)21-13-6-4-3-5-12(13)16/h3-9H,1-2H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine has a molecular weight of 284.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-6-(2-fluorophenoxy)pyrimidine is sourced from PubChem (CID 7314799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).