4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine

C16H20N4 — CID 116895613

IUPAC4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine
SMILESCc1cc(-c2ccccc2)nc(C2CN(C)CCN2)n1
InChIInChI=1S/C16H20N4/c1-12-10-14(13-6-4-3-5-7-13)19-16(18-12)15-11-20(2)9-8-17-15/h3-7,10,15,17H,8-9,11H2,1-2H3
InChIKeyKOIQCKIXBYZMOJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.03
Rot. Bonds2

About 4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine

4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine (PubChem CID 116895613) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine
PubChem CID116895613
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine
SMILESCc1cc(-c2ccccc2)nc(C2CN(C)CCN2)n1
InChIInChI=1S/C16H20N4/c1-12-10-14(13-6-4-3-5-7-13)19-16(18-12)15-11-20(2)9-8-17-15/h3-7,10,15,17H,8-9,11H2,1-2H3
InChIKeyKOIQCKIXBYZMOJ-UHFFFAOYSA-N
XLogP2.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine?
The IUPAC name of 4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine (CID 116895613) is 4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine.
What is the SMILES notation for 4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine?
The canonical SMILES for 4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine is Cc1cc(-c2ccccc2)nc(C2CN(C)CCN2)n1.
What is the InChIKey of 4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine?
The InChIKey is KOIQCKIXBYZMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-10-14(13-6-4-3-5-7-13)19-16(18-12)15-11-20(2)9-8-17-15/h3-7,10,15,17H,8-9,11H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine?
4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine has a molecular weight of 268.36 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine is sourced from PubChem (CID 116895613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).