4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine

C14H12ClN5 — CID 106715293

IUPAC4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine
SMILESCc1cccc(-c2nc(Cl)cc(-c3cnn(C)c3)n2)n1
InChIInChI=1S/C14H12ClN5/c1-9-4-3-5-11(17-9)14-18-12(6-13(15)19-14)10-7-16-20(2)8-10/h3-8H,1-2H3
InChIKeyVPWJMYUQTSOYBX-UHFFFAOYSA-N
MW285.74 g/mol
LogP2.90
Rot. Bonds2

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

4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine (PubChem CID 106715293) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine
PubChem CID106715293
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine
SMILESCc1cccc(-c2nc(Cl)cc(-c3cnn(C)c3)n2)n1
InChIInChI=1S/C14H12ClN5/c1-9-4-3-5-11(17-9)14-18-12(6-13(15)19-14)10-7-16-20(2)8-10/h3-8H,1-2H3
InChIKeyVPWJMYUQTSOYBX-UHFFFAOYSA-N
XLogP2.90
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
CID 43557664
4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715392
4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715379
4-chloro-2-(6-methyl-2-pyridinyl)-6-pyridin-3-ylpyrimidine
CID 86633449
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 107925460
4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715433
4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715304
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-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715353
4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine
CID 14623118
4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
CID 80945558

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine?
The IUPAC name of 4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine (CID 106715293) is 4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine is Cc1cccc(-c2nc(Cl)cc(-c3cnn(C)c3)n2)n1.
What is the InChIKey of 4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine?
The InChIKey is VPWJMYUQTSOYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c1-9-4-3-5-11(17-9)14-18-12(6-13(15)19-14)10-7-16-20(2)8-10/h3-8H,1-2H3.
What are the key properties of 4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine?
4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine has a molecular weight of 285.74 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine is sourced from PubChem (CID 106715293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).