4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine

C15H30N8 — CID 175529675

IUPAC4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine
SMILESCN1CCN(CCC2(N)N=C(N)NC(N3CCCCC3)=N2)CC1
InChIInChI=1S/C15H30N8/c1-21-9-11-22(12-10-21)8-5-15(17)19-13(16)18-14(20-15)23-6-3-2-4-7-23/h2-12,17H2,1H3,(H3,16,18,19,20)
InChIKeyLRGPYLMVTDVPEG-UHFFFAOYSA-N
MW322.46 g/mol
LogP-1.00
Rot. Bonds3

About 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine

4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine (PubChem CID 175529675) has the molecular formula C15H30N8 and a molecular weight of 322.46 g/mol. Its IUPAC name is 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine
PubChem CID175529675
Molecular FormulaC15H30N8
Molecular Weight322.46 g/mol
Exact Mass322.26
IUPAC Name4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine
SMILESCN1CCN(CCC2(N)N=C(N)NC(N3CCCCC3)=N2)CC1
InChIInChI=1S/C15H30N8/c1-21-9-11-22(12-10-21)8-5-15(17)19-13(16)18-14(20-15)23-6-3-2-4-7-23/h2-12,17H2,1H3,(H3,16,18,19,20)
InChIKeyLRGPYLMVTDVPEG-UHFFFAOYSA-N
XLogP-1.00
TPSA98.51 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 79854675
4-(3-pyrrolidin-1-ylpropyl)-6-(trichloromethyl)-1H-1,3,5-triazine-2,4-diamine
CID 154391237
1-methyl-4-[2-(2-methylpyrrolidin-2-yl)ethyl]piperazine
CID 117271549
1-methyl-4-(4-piperidin-1-ylbutyl)piperazine
CID 54547768
1-[2-(azocan-1-yl)ethyl]cyclohexan-1-amine
CID 64678910
4-(3,3-dimethylbutyl)-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-diamine
CID 150809584
1-methyl-4-[2-(2-methylpiperidin-2-yl)ethyl]piperazine
CID 117271787
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1-methyl-3-(2-pyrrolidin-1-ylethyl)piperidin-3-amine
CID 84734630
1-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclohexan-1-amine
CID 28745435
4-amino-2-pyrrolidin-1-yl-1,3-diazaspiro[5.5]undeca-1,4-diene-5-carbonitrile
CID 56920902
1-[2-(3-fluoropyrrolidin-3-yl)ethyl]piperidine
CID 84721269

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine (CID 175529675) is 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine is CN1CCN(CCC2(N)N=C(N)NC(N3CCCCC3)=N2)CC1.
What is the InChIKey of 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine?
The InChIKey is LRGPYLMVTDVPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N8/c1-21-9-11-22(12-10-21)8-5-15(17)19-13(16)18-14(20-15)23-6-3-2-4-7-23/h2-12,17H2,1H3,(H3,16,18,19,20).
What are the key properties of 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine?
4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine has a molecular weight of 322.46 g/mol, XLogP of -1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylpiperazin-1-yl)ethyl]-6-piperidin-1-yl-1H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 175529675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).