2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine

C12H18N6O — CID 80782080

IUPAC2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCc1ccc(CN(C)c2nc(N)nc(N(C)C)n2)o1
InChIInChI=1S/C12H18N6O/c1-8-5-6-9(19-8)7-18(4)12-15-10(13)14-11(16-12)17(2)3/h5-6H,7H2,1-4H3,(H2,13,14,15,16)
InChIKeyRBHWJPMBDBCXPJ-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.06
Rot. Bonds4

About 2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine

2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 80782080) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID80782080
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCc1ccc(CN(C)c2nc(N)nc(N(C)C)n2)o1
InChIInChI=1S/C12H18N6O/c1-8-5-6-9(19-8)7-18(4)12-15-10(13)14-11(16-12)17(2)3/h5-6H,7H2,1-4H3,(H2,13,14,15,16)
InChIKeyRBHWJPMBDBCXPJ-UHFFFAOYSA-N
XLogP1.06
TPSA84.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine (CID 80782080) is 2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine is Cc1ccc(CN(C)c2nc(N)nc(N(C)C)n2)o1.
What is the InChIKey of 2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RBHWJPMBDBCXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8-5-6-9(19-8)7-18(4)12-15-10(13)14-11(16-12)17(2)3/h5-6H,7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 262.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N-trimethyl-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80782080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).