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

C10H18N6 — CID 83026973

IUPAC6-N-methyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
SMILESCNc1cc(NN2CCN(C)CC2)ncn1
InChIInChI=1S/C10H18N6/c1-11-9-7-10(13-8-12-9)14-16-5-3-15(2)4-6-16/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyABPSHDKJJACRII-UHFFFAOYSA-N
MW222.30 g/mol
LogP0.09
Rot. Bonds3

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

6-N-methyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine (PubChem CID 83026973) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is 6-N-methyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
PubChem CID83026973
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC Name6-N-methyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
SMILESCNc1cc(NN2CCN(C)CC2)ncn1
InChIInChI=1S/C10H18N6/c1-11-9-7-10(13-8-12-9)14-16-5-3-15(2)4-6-16/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyABPSHDKJJACRII-UHFFFAOYSA-N
XLogP0.09
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine (CID 83026973) is 6-N-methyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine is CNc1cc(NN2CCN(C)CC2)ncn1.
What is the InChIKey of 6-N-methyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine?
The InChIKey is ABPSHDKJJACRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c1-11-9-7-10(13-8-12-9)14-16-5-3-15(2)4-6-16/h7-8H,3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 6-N-methyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine has a molecular weight of 222.30 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 83026973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).