6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine

C23H45N7 — CID 91377987

IUPAC6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)CC(C)(C)Nc1nc(NC(C)(C)CC(C)(C)C)nc(N2CCNCC2)n1
InChIInChI=1S/C23H45N7/c1-20(2,3)15-22(7,8)28-17-25-18(29-23(9,10)16-21(4,5)6)27-19(26-17)30-13-11-24-12-14-30/h24H,11-16H2,1-10H3,(H2,25,26,27,28,29)
InChIKeyBBVRNUBOQIBWRH-UHFFFAOYSA-N
MW419.66 g/mol
LogP4.53
Rot. Bonds7

About 6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine

6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 91377987) has the molecular formula C23H45N7 and a molecular weight of 419.66 g/mol. Its IUPAC name is 6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID91377987
Molecular FormulaC23H45N7
Molecular Weight419.66 g/mol
Exact Mass419.37
IUPAC Name6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)CC(C)(C)Nc1nc(NC(C)(C)CC(C)(C)C)nc(N2CCNCC2)n1
InChIInChI=1S/C23H45N7/c1-20(2,3)15-22(7,8)28-17-25-18(29-23(9,10)16-21(4,5)6)27-19(26-17)30-13-11-24-12-14-30/h24H,11-16H2,1-10H3,(H2,25,26,27,28,29)
InChIKeyBBVRNUBOQIBWRH-UHFFFAOYSA-N
XLogP4.53
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.66
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (CID 91377987) is 6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)(C)CC(C)(C)Nc1nc(NC(C)(C)CC(C)(C)C)nc(N2CCNCC2)n1.
What is the InChIKey of 6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BBVRNUBOQIBWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N7/c1-20(2,3)15-22(7,8)28-17-25-18(29-23(9,10)16-21(4,5)6)27-19(26-17)30-13-11-24-12-14-30/h24H,11-16H2,1-10H3,(H2,25,26,27,28,29).
What are the key properties of 6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 419.66 g/mol, XLogP of 4.53, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-2-N,4-N-bis(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 91377987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).