4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine

C12H17ClN4 — CID 80978295

IUPAC4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1N1CCNCC1
InChIInChI=1S/C12H17ClN4/c1-8-10(13)15-11(9-2-3-9)16-12(8)17-6-4-14-5-7-17/h9,14H,2-7H2,1H3
InChIKeyYAQPMEHPGFKTPQ-UHFFFAOYSA-N
MW252.75 g/mol
LogP1.73
Rot. Bonds2

About 4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine

4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine (PubChem CID 80978295) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine
PubChem CID80978295
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1N1CCNCC1
InChIInChI=1S/C12H17ClN4/c1-8-10(13)15-11(9-2-3-9)16-12(8)17-6-4-14-5-7-17/h9,14H,2-7H2,1H3
InChIKeyYAQPMEHPGFKTPQ-UHFFFAOYSA-N
XLogP1.73
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine (CID 80978295) is 4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1N1CCNCC1.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine?
The InChIKey is YAQPMEHPGFKTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c1-8-10(13)15-11(9-2-3-9)16-12(8)17-6-4-14-5-7-17/h9,14H,2-7H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine?
4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine has a molecular weight of 252.75 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-5-methyl-6-piperazin-1-ylpyrimidine is sourced from PubChem (CID 80978295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).