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

C12H13ClN4 — CID 106715389

IUPAC4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCC1CC1c1nc(Cl)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C12H13ClN4/c1-7-3-9(7)12-15-10(4-11(13)16-12)8-5-14-17(2)6-8/h4-7,9H,3H2,1-2H3
InChIKeyJOBHNJAHKAATCO-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.65
Rot. Bonds2

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

4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine (PubChem CID 106715389) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
PubChem CID106715389
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine
SMILESCC1CC1c1nc(Cl)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C12H13ClN4/c1-7-3-9(7)12-15-10(4-11(13)16-12)8-5-14-17(2)6-8/h4-7,9H,3H2,1-2H3
InChIKeyJOBHNJAHKAATCO-UHFFFAOYSA-N
XLogP2.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine (CID 106715389) is 4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine is CC1CC1c1nc(Cl)cc(-c2cnn(C)c2)n1.
What is the InChIKey of 4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
The InChIKey is JOBHNJAHKAATCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-7-3-9(7)12-15-10(4-11(13)16-12)8-5-14-17(2)6-8/h4-7,9H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine?
4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine has a molecular weight of 248.72 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylcyclopropyl)-6-(1-methylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 106715389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).