5-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine

C15H17ClN4 — CID 3234073

IUPAC5-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2ncncc2-c2ccccc2Cl)CC1
InChIInChI=1S/C15H17ClN4/c1-19-6-8-20(9-7-19)15-13(10-17-11-18-15)12-4-2-3-5-14(12)16/h2-5,10-11H,6-9H2,1H3
InChIKeyNJSDHUGNOGWDBH-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.55
Rot. Bonds2

About 5-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine

5-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 3234073) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID3234073
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name5-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2ncncc2-c2ccccc2Cl)CC1
InChIInChI=1S/C15H17ClN4/c1-19-6-8-20(9-7-19)15-13(10-17-11-18-15)12-4-2-3-5-14(12)16/h2-5,10-11H,6-9H2,1H3
InChIKeyNJSDHUGNOGWDBH-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine (CID 3234073) is 5-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2ncncc2-c2ccccc2Cl)CC1.
What is the InChIKey of 5-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is NJSDHUGNOGWDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-19-6-8-20(9-7-19)15-13(10-17-11-18-15)12-4-2-3-5-14(12)16/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine?
5-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 288.78 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-4-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 3234073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).