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

C13H11ClN6O — CID 106715304

IUPAC4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCOc1cc(-c2nc(Cl)cc(-c3cnn(C)c3)n2)ncn1
InChIInChI=1S/C13H11ClN6O/c1-20-6-8(5-17-20)9-3-11(14)19-13(18-9)10-4-12(21-2)16-7-15-10/h3-7H,1-2H3
InChIKeyUEWFADOYKUZSBE-UHFFFAOYSA-N
MW302.73 g/mol
LogP2.00
Rot. Bonds3

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

4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 106715304) has the molecular formula C13H11ClN6O and a molecular weight of 302.73 g/mol. Its IUPAC name is 4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID106715304
Molecular FormulaC13H11ClN6O
Molecular Weight302.73 g/mol
Exact Mass302.07
IUPAC Name4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCOc1cc(-c2nc(Cl)cc(-c3cnn(C)c3)n2)ncn1
InChIInChI=1S/C13H11ClN6O/c1-20-6-8(5-17-20)9-3-11(14)19-13(18-9)10-4-12(21-2)16-7-15-10/h3-7H,1-2H3
InChIKeyUEWFADOYKUZSBE-UHFFFAOYSA-N
XLogP2.00
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.73
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-(3-methoxyphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715392
4-chloro-6-(1-methylpyrazol-4-yl)-2-(6-methyl-2-pyridinyl)pyrimidine
CID 106715293
4-chloro-6-cyclopropyl-2-(6-methoxypyrimidin-4-yl)pyrimidine
CID 102949860
4-chloro-2-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715379
4-chloro-2-(2,2-dimethylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 107925460
4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
CID 43557664
4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715389
2-(6-methoxypyridazin-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715684
2-(3-bromofuran-2-yl)-4-chloro-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106886214
4-chloro-2-(2-ethylphenyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715433
4-chloro-2-(3-ethyl-2-pyridinyl)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 106715353
4-chloro-6-(1-methylpyrazol-4-yl)-2-propylpyrimidine
CID 80945558

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine (CID 106715304) is 4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine is COc1cc(-c2nc(Cl)cc(-c3cnn(C)c3)n2)ncn1.
What is the InChIKey of 4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is UEWFADOYKUZSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6O/c1-20-6-8(5-17-20)9-3-11(14)19-13(18-9)10-4-12(21-2)16-7-15-10/h3-7H,1-2H3.
What are the key properties of 4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine?
4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 302.73 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(6-methoxypyrimidin-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 106715304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).