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

C16H16N4O2 — CID 850354

IUPAC4-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine
SMILESCOc1ccccc1Oc1cc(-n2nc(C)cc2C)ncn1
InChIInChI=1S/C16H16N4O2/c1-11-8-12(2)20(19-11)15-9-16(18-10-17-15)22-14-7-5-4-6-13(14)21-3/h4-10H,1-3H3
InChIKeyIVWXCDCJOIZYFR-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.08
Rot. Bonds4

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

4-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine (PubChem CID 850354) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine
PubChem CID850354
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine
SMILESCOc1ccccc1Oc1cc(-n2nc(C)cc2C)ncn1
InChIInChI=1S/C16H16N4O2/c1-11-8-12(2)20(19-11)15-9-16(18-10-17-15)22-14-7-5-4-6-13(14)21-3/h4-10H,1-3H3
InChIKeyIVWXCDCJOIZYFR-UHFFFAOYSA-N
XLogP3.08
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 666764
6-(3,5-dimethyl-1H-pyrazol-1-yl)-4-pyrimidinyl 4-methylphenyl ether
CID 850309
2-{[1-(4,6-dimethyl-2-pyrimidinyl)-3,5-dimethyl-1H-pyrazol-4-yl]oxy}phenol
CID 876620
2-{[3,5-dimethyl-1-(2-pyridinyl)-1H-pyrazol-4-yl]oxy}phenol
CID 2999618
N-(3-ethoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 43816783
3-(1H-imidazol-1-yl)-6-(4-(2-methoxyphenoxy)piperidin-1-yl)pyridazine
CID 46225462
4-(2-Methoxyphenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 7205654
4-Methoxy-6-methyl-2-[6-(2-phenoxyethoxy)pyridazin-3-yl]oxypyrimidine
CID 2913631

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine (CID 850354) is 4-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine is COc1ccccc1Oc1cc(-n2nc(C)cc2C)ncn1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine?
The InChIKey is IVWXCDCJOIZYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-8-12(2)20(19-11)15-9-16(18-10-17-15)22-14-7-5-4-6-13(14)21-3/h4-10H,1-3H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine?
4-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine has a molecular weight of 296.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-6-(2-methoxyphenoxy)pyrimidine is sourced from PubChem (CID 850354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).