4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine

C15H17ClN4 — CID 63735916

IUPAC4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCc1c(Cl)ncnc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H17ClN4/c1-12-14(16)17-11-18-15(12)20-9-7-19(8-10-20)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyWDOLSAVONIHOBH-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.77
Rot. Bonds2

About 4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine

4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine (PubChem CID 63735916) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine
PubChem CID63735916
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine
SMILESCc1c(Cl)ncnc1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H17ClN4/c1-12-14(16)17-11-18-15(12)20-9-7-19(8-10-20)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3
InChIKeyWDOLSAVONIHOBH-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine 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-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine (CID 63735916) is 4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine is Cc1c(Cl)ncnc1N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is WDOLSAVONIHOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-12-14(16)17-11-18-15(12)20-9-7-19(8-10-20)13-5-3-2-4-6-13/h2-6,11H,7-10H2,1H3.
What are the key properties of 4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine?
4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 288.78 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 63735916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).