4-chloro-6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine

C16H19ClN4 — CID 10685817

IUPAC4-chloro-6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1ccc(-c2cc(Cl)nc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C16H19ClN4/c1-12-3-5-13(6-4-12)14-11-15(17)19-16(18-14)21-9-7-20(2)8-10-21/h3-6,11H,7-10H2,1-2H3
InChIKeyYNYKGQQIUNZMTE-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.86
Rot. Bonds2

About 4-chloro-6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine

4-chloro-6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 10685817) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-chloro-6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID10685817
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name4-chloro-6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1ccc(-c2cc(Cl)nc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C16H19ClN4/c1-12-3-5-13(6-4-12)14-11-15(17)19-16(18-14)21-9-7-20(2)8-10-21/h3-6,11H,7-10H2,1-2H3
InChIKeyYNYKGQQIUNZMTE-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine (CID 10685817) is 4-chloro-6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine is Cc1ccc(-c2cc(Cl)nc(N3CCN(C)CC3)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is YNYKGQQIUNZMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-12-3-5-13(6-4-12)14-11-15(17)19-16(18-14)21-9-7-20(2)8-10-21/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4-chloro-6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine?
4-chloro-6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 302.81 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 10685817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).