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

C16H20N4 — CID 3235024

IUPAC5-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1ccccc1-c1cncnc1N1CCN(C)CC1
InChIInChI=1S/C16H20N4/c1-13-5-3-4-6-14(13)15-11-17-12-18-16(15)20-9-7-19(2)8-10-20/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMMWVKXAHWHRXQM-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.20
Rot. Bonds2

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

5-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 3235024) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID3235024
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name5-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidine
SMILESCc1ccccc1-c1cncnc1N1CCN(C)CC1
InChIInChI=1S/C16H20N4/c1-13-5-3-4-6-14(13)15-11-17-12-18-16(15)20-9-7-19(2)8-10-20/h3-6,11-12H,7-10H2,1-2H3
InChIKeyMMWVKXAHWHRXQM-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidine (CID 3235024) is 5-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidine is Cc1ccccc1-c1cncnc1N1CCN(C)CC1.
What is the InChIKey of 5-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is MMWVKXAHWHRXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-13-5-3-4-6-14(13)15-11-17-12-18-16(15)20-9-7-19(2)8-10-20/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 5-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidine?
5-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 268.36 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 3235024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).