4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine

C15H14ClN5 — CID 106715353

IUPAC4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCCc1cccnc1-c1nc(Cl)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C15H14ClN5/c1-3-10-5-4-6-17-14(10)15-19-12(7-13(16)20-15)11-8-18-21(2)9-11/h4-9H,3H2,1-2H3
InChIKeyUMCYIBGTVQVAPN-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.15
Rot. Bonds3

About 4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine

4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 106715353) has the molecular formula C15H14ClN5 and a molecular weight of 299.77 g/mol. Its IUPAC name is 4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID106715353
Molecular FormulaC15H14ClN5
Molecular Weight299.77 g/mol
Exact Mass299.09
IUPAC Name4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCCc1cccnc1-c1nc(Cl)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C15H14ClN5/c1-3-10-5-4-6-17-14(10)15-19-12(7-13(16)20-15)11-8-18-21(2)9-11/h4-9H,3H2,1-2H3
InChIKeyUMCYIBGTVQVAPN-UHFFFAOYSA-N
XLogP3.15
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715433
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
4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715392
4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715304
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 107925460
5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82741728
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-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine (CID 106715353) is 4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine is CCc1cccnc1-c1nc(Cl)cc(-c2cnn(C)c2)n1.
What is the InChIKey of 4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is UMCYIBGTVQVAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-3-10-5-4-6-17-14(10)15-19-12(7-13(16)20-15)11-8-18-21(2)9-11/h4-9H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 299.77 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 106715353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).