6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine

C11H21N7 — CID 63596408

IUPAC6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCC(N)C1CCN(Cc2nc(N)nc(N)n2)CC1
InChIInChI=1S/C11H21N7/c1-7(12)8-2-4-18(5-3-8)6-9-15-10(13)17-11(14)16-9/h7-8H,2-6,12H2,1H3,(H4,13,14,15,16,17)
InChIKeyPJBSRSMAXHPQBS-UHFFFAOYSA-N
MW251.34 g/mol
LogP-0.40
Rot. Bonds3

About 6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine

6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 63596408) has the molecular formula C11H21N7 and a molecular weight of 251.34 g/mol. Its IUPAC name is 6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID63596408
Molecular FormulaC11H21N7
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCC(N)C1CCN(Cc2nc(N)nc(N)n2)CC1
InChIInChI=1S/C11H21N7/c1-7(12)8-2-4-18(5-3-8)6-9-15-10(13)17-11(14)16-9/h7-8H,2-6,12H2,1H3,(H4,13,14,15,16,17)
InChIKeyPJBSRSMAXHPQBS-UHFFFAOYSA-N
XLogP-0.40
TPSA119.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine (CID 63596408) is 6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine is CC(N)C1CCN(Cc2nc(N)nc(N)n2)CC1.
What is the InChIKey of 6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is PJBSRSMAXHPQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N7/c1-7(12)8-2-4-18(5-3-8)6-9-15-10(13)17-11(14)16-9/h7-8H,2-6,12H2,1H3,(H4,13,14,15,16,17).
What are the key properties of 6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine?
6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 251.34 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 63596408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).