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

C11H20N6 — CID 63868328

IUPAC4-(4-methylpiperazin-1-yl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C11H20N6/c1-3-4-9-13-10(12)15-11(14-9)17-7-5-16(2)6-8-17/h3-8H2,1-2H3,(H2,12,13,14,15)
InChIKeyKRRCVYIYEWMPAV-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.16
Rot. Bonds3

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

4-(4-methylpiperazin-1-yl)-6-propyl-1,3,5-triazin-2-amine (PubChem CID 63868328) has the molecular formula C11H20N6 and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-propyl-1,3,5-triazin-2-amine
PubChem CID63868328
Molecular FormulaC11H20N6
Molecular Weight236.32 g/mol
Exact Mass236.17
IUPAC Name4-(4-methylpiperazin-1-yl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C11H20N6/c1-3-4-9-13-10(12)15-11(14-9)17-7-5-16(2)6-8-17/h3-8H2,1-2H3,(H2,12,13,14,15)
InChIKeyKRRCVYIYEWMPAV-UHFFFAOYSA-N
XLogP0.16
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-Methylpiperazin-1-yl)-6-(2-methylpropyl)-1,3,5-triazin-2-amine (10)
CID 121238067
4-Ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 63868172
s-Triazine, 2-amino-4-((4-methyl-1-piperazinyl)methyl)-6-piperidino-
CID 207511
4-Tert-butyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 25133970
4-(4-Methylpiperazin-1-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 55251397
4-(2,2-Dimethylpropyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155546701
4-Butan-2-yl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155563489
4-Methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 63868018
s-Triazine, 2-amino-4-(piperidinomethyl)-4-piperidino-
CID 210894
s-Triazine, 2-amino-4-piperidino-6-(1-pyrrolidinylmethyl)-
CID 211142
1,3,5-Triazin-2-amine, 4-methyl-6-(1-piperidinyl)-
CID 207476
4-(4-Methylpiperazin-1-yl)-6-pentan-3-yl-1,3,5-triazin-2-amine
CID 155568016

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-propyl-1,3,5-triazin-2-amine (CID 63868328) is 4-(4-methylpiperazin-1-yl)-6-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-propyl-1,3,5-triazin-2-amine is CCCc1nc(N)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-propyl-1,3,5-triazin-2-amine?
The InChIKey is KRRCVYIYEWMPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6/c1-3-4-9-13-10(12)15-11(14-9)17-7-5-16(2)6-8-17/h3-8H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-propyl-1,3,5-triazin-2-amine?
4-(4-methylpiperazin-1-yl)-6-propyl-1,3,5-triazin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 0.16, 3 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-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).