2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

C12H22N6 — CID 17449838

IUPAC2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCC1CCCN(Cc2nc(N)nc(N(C)C)n2)C1
InChIInChI=1S/C12H22N6/c1-9-5-4-6-18(7-9)8-10-14-11(13)16-12(15-10)17(2)3/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyMYGJEVCUQDHSOU-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.75
Rot. Bonds3

About 2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 17449838) has the molecular formula C12H22N6 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID17449838
Molecular FormulaC12H22N6
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Name2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCC1CCCN(Cc2nc(N)nc(N(C)C)n2)C1
InChIInChI=1S/C12H22N6/c1-9-5-4-6-18(7-9)8-10-14-11(13)16-12(15-10)17(2)3/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyMYGJEVCUQDHSOU-UHFFFAOYSA-N
XLogP0.75
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 17449838) is 2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine is CC1CCCN(Cc2nc(N)nc(N(C)C)n2)C1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is MYGJEVCUQDHSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6/c1-9-5-4-6-18(7-9)8-10-14-11(13)16-12(15-10)17(2)3/h9H,4-8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[(3-methylpiperidin-1-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17449838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).