6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine

C13H24N6O — CID 104767021

IUPAC6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)OCCNc1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C13H24N6O/c1-10(2)20-9-6-15-12-16-11(14)17-13(18-12)19-7-4-3-5-8-19/h10H,3-9H2,1-2H3,(H3,14,15,16,17,18)
InChIKeySDTBIJXSIKQOMP-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.28
Rot. Bonds6

About 6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine

6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 104767021) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine
PubChem CID104767021
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)OCCNc1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C13H24N6O/c1-10(2)20-9-6-15-12-16-11(14)17-13(18-12)19-7-4-3-5-8-19/h10H,3-9H2,1-2H3,(H3,14,15,16,17,18)
InChIKeySDTBIJXSIKQOMP-UHFFFAOYSA-N
XLogP1.28
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-(3-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784864
2-N-(2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769665
2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 115327658
2-N-[4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 139460803
2-N-(2-methylsulfonylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80791674
2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769992
2-N-(2-methoxy-2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 104767252
5-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-2-ol
CID 106138204
4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-methoxybutan-2-ol
CID 106248707
2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819399
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
1-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80835362

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine (CID 104767021) is 6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine is CC(C)OCCNc1nc(N)nc(N2CCCCC2)n1.
What is the InChIKey of 6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SDTBIJXSIKQOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-10(2)20-9-6-15-12-16-11(14)17-13(18-12)19-7-4-3-5-8-19/h10H,3-9H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine?
6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 280.38 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 104767021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).