4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine

C16H15ClN4 — CID 106715433

IUPAC4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCCc1ccccc1-c1nc(Cl)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C16H15ClN4/c1-3-11-6-4-5-7-13(11)16-19-14(8-15(17)20-16)12-9-18-21(2)10-12/h4-10H,3H2,1-2H3
InChIKeyNXJRUVTYFZBHLK-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.76
Rot. Bonds3

About 4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine

4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 106715433) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID106715433
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCCc1ccccc1-c1nc(Cl)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C16H15ClN4/c1-3-11-6-4-5-7-13(11)16-19-14(8-15(17)20-16)12-9-18-21(2)10-12/h4-10H,3H2,1-2H3
InChIKeyNXJRUVTYFZBHLK-UHFFFAOYSA-N
XLogP3.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715353
4,6-dichloro-2-(2-ethylphenyl)pyrimidine
CID 63612271
4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
CID 43557664
4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine
CID 106715293
4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715379
4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
CID 80945558
2-(2-chlorophenyl)-N-methyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715801
4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715392
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 107925460
4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715389
2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106886214
4-chloro-2-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715271

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine (CID 106715433) is 4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine is CCc1ccccc1-c1nc(Cl)cc(-c2cnn(C)c2)n1.
What is the InChIKey of 4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is NXJRUVTYFZBHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-3-11-6-4-5-7-13(11)16-19-14(8-15(17)20-16)12-9-18-21(2)10-12/h4-10H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 298.78 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 106715433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).