4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

C10H18N6 — CID 25129179

IUPAC4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCNc1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C10H18N6/c1-12-8-7-9(14-10(11)13-8)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyZZGIYIUKTWQYCW-UHFFFAOYSA-N
MW222.30 g/mol
LogP-0.15
Rot. Bonds2

About 4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine

4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (PubChem CID 25129179) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is 4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
PubChem CID25129179
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC Name4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCNc1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C10H18N6/c1-12-8-7-9(14-10(11)13-8)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H3,11,12,13,14)
InChIKeyZZGIYIUKTWQYCW-UHFFFAOYSA-N
XLogP-0.15
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine (CID 25129179) is 4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is CNc1cc(N2CCN(C)CC2)nc(N)n1.
What is the InChIKey of 4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is ZZGIYIUKTWQYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c1-12-8-7-9(14-10(11)13-8)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine?
4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 222.30 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 25129179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).