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

C12H22N6 — CID 54587791

IUPAC6-(4-methylpiperazin-1-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(N)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H22N6/c1-9(2)14-12-15-10(13)8-11(16-12)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyGGPNUQFBNULEEM-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.63
Rot. Bonds3

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

6-(4-methylpiperazin-1-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 54587791) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID54587791
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name6-(4-methylpiperazin-1-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(N)cc(N2CCN(C)CC2)n1
InChIInChI=1S/C12H22N6/c1-9(2)14-12-15-10(13)8-11(16-12)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3,(H3,13,14,15,16)
InChIKeyGGPNUQFBNULEEM-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)-2-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

Related Compounds

6-(4-methylpiperazin-1-yl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 54585780
4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyridin-2-amine
CID 53233904
6-(4-butylpiperazin-1-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 121440416
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrazin-2-amine
CID 168776208
4-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913833
4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 80932163
6-methyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907366
4-(6-amino-2-pyridinyl)-6-(4-methylpiperazin-1-yl)pyridin-2-amine
CID 66836665
N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 70943141
2-methyl-6-(10-methyl-3,10-diazaspiro[5.6]dodecan-3-yl)pyrimidin-4-amine
CID 72853467
6-(4-butan-2-ylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 80824437
4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 159078071

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine (CID 54587791) is 6-(4-methylpiperazin-1-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine is CC(C)Nc1nc(N)cc(N2CCN(C)CC2)n1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is GGPNUQFBNULEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-9(2)14-12-15-10(13)8-11(16-12)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)-2-N-propan-2-ylpyrimidine-2,4-diamine?
6-(4-methylpiperazin-1-yl)-2-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)-2-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 54587791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).