6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine

C12H22N6 — CID 54585780

IUPAC6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C12H22N6/c1-9(2)14-10-8-11(16-12(13)15-10)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyKAUYUPRYNGTHLK-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.63
Rot. Bonds3

About 6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine

6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 54585780) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID54585780
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C12H22N6/c1-9(2)14-10-8-11(16-12(13)15-10)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyKAUYUPRYNGTHLK-UHFFFAOYSA-N
XLogP0.63
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine 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-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 54585780) is 6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Nc1cc(N2CCN(C)CC2)nc(N)n1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is KAUYUPRYNGTHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-9(2)14-10-8-11(16-12(13)15-10)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine?
6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 54585780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).