2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine

C11H20N6 — CID 83027856

IUPAC2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NN2CCN(C)CC2)n1
InChIInChI=1S/C11H20N6/c1-8-10(12)13-9(2)14-11(8)15-17-6-4-16(3)5-7-17/h4-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyCFDDIDGPVAIGTJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.25
Rot. Bonds2

About 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine

2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine (PubChem CID 83027856) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
PubChem CID83027856
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NN2CCN(C)CC2)n1
InChIInChI=1S/C11H20N6/c1-8-10(12)13-9(2)14-11(8)15-17-6-4-16(3)5-7-17/h4-7H2,1-3H3,(H3,12,13,14,15)
InChIKeyCFDDIDGPVAIGTJ-UHFFFAOYSA-N
XLogP0.25
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine (CID 83027856) is 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NN2CCN(C)CC2)n1.
What is the InChIKey of 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine?
The InChIKey is CFDDIDGPVAIGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-8-10(12)13-9(2)14-11(8)15-17-6-4-16(3)5-7-17/h4-7H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine?
2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 83027856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).