4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine

C12H13ClN4 — CID 80978776

IUPAC4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine
SMILESCc1cnn(-c2nc(C3CC3)nc(Cl)c2C)c1
InChIInChI=1S/C12H13ClN4/c1-7-5-14-17(6-7)12-8(2)10(13)15-11(16-12)9-3-4-9/h5-6,9H,3-4H2,1-2H3
InChIKeyFTANYUQPCGTMRW-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.81
Rot. Bonds2

About 4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine

4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine (PubChem CID 80978776) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine
PubChem CID80978776
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine
SMILESCc1cnn(-c2nc(C3CC3)nc(Cl)c2C)c1
InChIInChI=1S/C12H13ClN4/c1-7-5-14-17(6-7)12-8(2)10(13)15-11(16-12)9-3-4-9/h5-6,9H,3-4H2,1-2H3
InChIKeyFTANYUQPCGTMRW-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine (CID 80978776) is 4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine is Cc1cnn(-c2nc(C3CC3)nc(Cl)c2C)c1.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine?
The InChIKey is FTANYUQPCGTMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-7-5-14-17(6-7)12-8(2)10(13)15-11(16-12)9-3-4-9/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine?
4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine has a molecular weight of 248.72 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-5-methyl-6-(4-methylpyrazol-1-yl)pyrimidine is sourced from PubChem (CID 80978776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).