4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine

C11H19N5 — CID 80834015

IUPAC4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(C)C(C)C2)nc(N)n1
InChIInChI=1S/C11H19N5/c1-8-6-10(14-11(12)13-8)16-5-4-15(3)9(2)7-16/h6,9H,4-5,7H2,1-3H3,(H2,12,13,14)
InChIKeyZBHJDGMVGUTZLN-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.51
Rot. Bonds1

About 4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine

4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 80834015) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
PubChem CID80834015
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCN(C)C(C)C2)nc(N)n1
InChIInChI=1S/C11H19N5/c1-8-6-10(14-11(12)13-8)16-5-4-15(3)9(2)7-16/h6,9H,4-5,7H2,1-3H3,(H2,12,13,14)
InChIKeyZBHJDGMVGUTZLN-UHFFFAOYSA-N
XLogP0.51
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine (CID 80834015) is 4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCN(C)C(C)C2)nc(N)n1.
What is the InChIKey of 4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is ZBHJDGMVGUTZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-8-6-10(14-11(12)13-8)16-5-4-15(3)9(2)7-16/h6,9H,4-5,7H2,1-3H3,(H2,12,13,14).
What are the key properties of 4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine?
4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 221.31 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpiperazin-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 80834015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).