6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine

C14H25N5 — CID 80833774

IUPAC6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(N2CCN(C)C(C)C2)c1C(C)C
InChIInChI=1S/C14H25N5/c1-10(2)12-13(15-4)16-9-17-14(12)19-7-6-18(5)11(3)8-19/h9-11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyGMKIBKDOQAUORI-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.78
Rot. Bonds3

About 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine

6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80833774) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID80833774
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCNc1ncnc(N2CCN(C)C(C)C2)c1C(C)C
InChIInChI=1S/C14H25N5/c1-10(2)12-13(15-4)16-9-17-14(12)19-7-6-18(5)11(3)8-19/h9-11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyGMKIBKDOQAUORI-UHFFFAOYSA-N
XLogP1.78
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine (CID 80833774) is 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine is CNc1ncnc(N2CCN(C)C(C)C2)c1C(C)C.
What is the InChIKey of 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is GMKIBKDOQAUORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-10(2)12-13(15-4)16-9-17-14(12)19-7-6-18(5)11(3)8-19/h9-11H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine?
6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 263.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80833774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).