2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

C13H25N7 — CID 80819399

IUPAC2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(CNc1nc(N)nc(N2CCCCC2)n1)N(C)C
InChIInChI=1S/C13H25N7/c1-10(19(2)3)9-15-12-16-11(14)17-13(18-12)20-7-5-4-6-8-20/h10H,4-9H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyQCSVEJXOTREURL-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.81
Rot. Bonds5

About 2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80819399) has the molecular formula C13H25N7 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80819399
Molecular FormulaC13H25N7
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC Name2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(CNc1nc(N)nc(N2CCCCC2)n1)N(C)C
InChIInChI=1S/C13H25N7/c1-10(19(2)3)9-15-12-16-11(14)17-13(18-12)20-7-5-4-6-8-20/h10H,4-9H2,1-3H3,(H3,14,15,16,17,18)
InChIKeyQCSVEJXOTREURL-UHFFFAOYSA-N
XLogP0.81
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769665
3-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-2-methylpropan-1-ol
CID 80841852
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
2-N-[2-(dimethylamino)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769992
2-N-(3-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784864
6-piperidin-1-yl-2-N-(2-propan-2-yloxyethyl)-1,3,5-triazine-2,4-diamine
CID 104767021
1-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-3-methoxypropan-2-ol
CID 80835362
2-N-[2-(dimethylamino)-2-methylpropyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80812452
4-N-ethyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770163
2-N-(5-methylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 115327658
2-N-(4-methylhexan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80829230
2-N-(2-methoxy-2-methylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 104767252

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80819399) is 2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is CC(CNc1nc(N)nc(N2CCCCC2)n1)N(C)C.
What is the InChIKey of 2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is QCSVEJXOTREURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N7/c1-10(19(2)3)9-15-12-16-11(14)17-13(18-12)20-7-5-4-6-8-20/h10H,4-9H2,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80819399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).