4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine

C15H26N6 — CID 22328862

IUPAC4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nccc(N3CCNCC3(C)C)n2)CC1
InChIInChI=1S/C15H26N6/c1-15(2)12-16-6-7-21(15)13-4-5-17-14(18-13)20-10-8-19(3)9-11-20/h4-5,16H,6-12H2,1-3H3
InChIKeyBQDFEGDKTBJPMB-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.42
Rot. Bonds2

About 4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine

4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 22328862) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID22328862
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nccc(N3CCNCC3(C)C)n2)CC1
InChIInChI=1S/C15H26N6/c1-15(2)12-16-6-7-21(15)13-4-5-17-14(18-13)20-10-8-19(3)9-11-20/h4-5,16H,6-12H2,1-3H3
InChIKeyBQDFEGDKTBJPMB-UHFFFAOYSA-N
XLogP0.42
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (CID 22328862) is 4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2nccc(N3CCNCC3(C)C)n2)CC1.
What is the InChIKey of 4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is BQDFEGDKTBJPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-15(2)12-16-6-7-21(15)13-4-5-17-14(18-13)20-10-8-19(3)9-11-20/h4-5,16H,6-12H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 290.41 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 22328862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).