6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine

C22H26N6 — CID 112863311

IUPAC6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCc1cc(C)c(Nc2cc(N3CCN(c4ccccn4)CC3)ncn2)c(C)c1
InChIInChI=1S/C22H26N6/c1-16-12-17(2)22(18(3)13-16)26-19-14-21(25-15-24-19)28-10-8-27(9-11-28)20-6-4-5-7-23-20/h4-7,12-15H,8-11H2,1-3H3,(H,24,25,26)
InChIKeySZTUBLATLHMQDB-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.87
Rot. Bonds4

About 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine

6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine (PubChem CID 112863311) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
PubChem CID112863311
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCc1cc(C)c(Nc2cc(N3CCN(c4ccccn4)CC3)ncn2)c(C)c1
InChIInChI=1S/C22H26N6/c1-16-12-17(2)22(18(3)13-16)26-19-14-21(25-15-24-19)28-10-8-27(9-11-28)20-6-4-5-7-23-20/h4-7,12-15H,8-11H2,1-3H3,(H,24,25,26)
InChIKeySZTUBLATLHMQDB-UHFFFAOYSA-N
XLogP3.87
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine (CID 112863311) is 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine is Cc1cc(C)c(Nc2cc(N3CCN(c4ccccn4)CC3)ncn2)c(C)c1.
What is the InChIKey of 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The InChIKey is SZTUBLATLHMQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-16-12-17(2)22(18(3)13-16)26-19-14-21(25-15-24-19)28-10-8-27(9-11-28)20-6-4-5-7-23-20/h4-7,12-15H,8-11H2,1-3H3,(H,24,25,26).
What are the key properties of 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine has a molecular weight of 374.49 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112863311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).