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

C15H13ClN4O — CID 106715392

IUPAC4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCOc1cccc(-c2nc(Cl)cc(-c3cnn(C)c3)n2)c1
InChIInChI=1S/C15H13ClN4O/c1-20-9-11(8-17-20)13-7-14(16)19-15(18-13)10-4-3-5-12(6-10)21-2/h3-9H,1-2H3
InChIKeyXDTHRYDODXDZNV-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.21
Rot. Bonds3

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

4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 106715392) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID106715392
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCOc1cccc(-c2nc(Cl)cc(-c3cnn(C)c3)n2)c1
InChIInChI=1S/C15H13ClN4O/c1-20-9-11(8-17-20)13-7-14(16)19-15(18-13)10-4-3-5-12(6-10)21-2/h3-9H,1-2H3
InChIKeyXDTHRYDODXDZNV-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 ≤ 500300.75
LogP ≤ 53.21
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-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-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715304
4-chloro-6-methoxy-2-(3-methoxyphenyl)pyrimidine
CID 82169427
2-(3-methoxyphenyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973825
4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715433
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 107925460
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-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
4,6-dichloro-5-fluoro-2-(3-methoxyphenyl)pyrimidine
CID 80550230

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine (CID 106715392) is 4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine is COc1cccc(-c2nc(Cl)cc(-c3cnn(C)c3)n2)c1.
What is the InChIKey of 4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is XDTHRYDODXDZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-20-9-11(8-17-20)13-7-14(16)19-15(18-13)10-4-3-5-12(6-10)21-2/h3-9H,1-2H3.
What are the key properties of 4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 300.75 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-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 106715392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).