4-(4-methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine

C11H20N6 — CID 55251397

IUPAC4-(4-methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C11H20N6/c1-8(2)9-13-10(12)15-11(14-9)17-6-4-16(3)5-7-17/h8H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyOTUYVVLLDMJLCW-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.33
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine

4-(4-methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 55251397) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID55251397
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name4-(4-methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C11H20N6/c1-8(2)9-13-10(12)15-11(14-9)17-6-4-16(3)5-7-17/h8H,4-7H2,1-3H3,(H2,12,13,14,15)
InChIKeyOTUYVVLLDMJLCW-UHFFFAOYSA-N
XLogP0.33
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 55251397) is 4-(4-methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is OTUYVVLLDMJLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-8(2)9-13-10(12)15-11(14-9)17-6-4-16(3)5-7-17/h8H,4-7H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(4-methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55251397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).