6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C13H24N6O — CID 97099666

IUPAC6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(Cc1nc(N)nc(N(C)C)n1)C[C@@H]1CCOC1
InChIInChI=1S/C13H24N6O/c1-4-19(7-10-5-6-20-9-10)8-11-15-12(14)17-13(16-11)18(2)3/h10H,4-9H2,1-3H3,(H2,14,15,16,17)/t10-/m0/s1
InChIKeyVSZDAMMPVFGMCH-JTQLQIEISA-N
MW280.38 g/mol
LogP0.38
Rot. Bonds6

About 6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 97099666) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID97099666
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(Cc1nc(N)nc(N(C)C)n1)C[C@@H]1CCOC1
InChIInChI=1S/C13H24N6O/c1-4-19(7-10-5-6-20-9-10)8-11-15-12(14)17-13(16-11)18(2)3/h10H,4-9H2,1-3H3,(H2,14,15,16,17)/t10-/m0/s1
InChIKeyVSZDAMMPVFGMCH-JTQLQIEISA-N
XLogP0.38
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 97099666) is 6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CCN(Cc1nc(N)nc(N(C)C)n1)C[C@@H]1CCOC1.
What is the InChIKey of 6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VSZDAMMPVFGMCH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N6O/c1-4-19(7-10-5-6-20-9-10)8-11-15-12(14)17-13(16-11)18(2)3/h10H,4-9H2,1-3H3,(H2,14,15,16,17)/t10-/m0/s1.
What are the key properties of 6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 280.38 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[ethyl-[[(3S)-oxolan-3-yl]methyl]amino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 97099666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).