formaldehyde;2-methyl-1-(2-methylpropoxy)propane;1,3,5-triazine-2,4,6-triamine

C12H26N6O2 — CID 161160905

IUPACformaldehyde;2-methyl-1-(2-methylpropoxy)propane;1,3,5-triazine-2,4,6-triamine
SMILESC=O.CC(C)COCC(C)C.Nc1nc(N)nc(N)n1
InChIInChI=1S/C8H18O.C3H6N6.CH2O/c1-7(2)5-9-6-8(3)4;4-1-7-2(5)9-3(6)8-1;1-2/h7-8H,5-6H2,1-4H3;(H6,4,5,6,7,8,9);1H2
InChIKeyUPXDYZOLPJMPBJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.75
Rot. Bonds4

About formaldehyde;2-methyl-1-(2-methylpropoxy)propane;1,3,5-triazine-2,4,6-triamine

formaldehyde;2-methyl-1-(2-methylpropoxy)propane;1,3,5-triazine-2,4,6-triamine (PubChem CID 161160905) has the molecular formula C12H26N6O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is formaldehyde;2-methyl-1-(2-methylpropoxy)propane;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Nameformaldehyde;2-methyl-1-(2-methylpropoxy)propane;1,3,5-triazine-2,4,6-triamine
PubChem CID161160905
Molecular FormulaC12H26N6O2
Molecular Weight286.38 g/mol
Exact Mass286.21
IUPAC Nameformaldehyde;2-methyl-1-(2-methylpropoxy)propane;1,3,5-triazine-2,4,6-triamine
SMILESC=O.CC(C)COCC(C)C.Nc1nc(N)nc(N)n1
InChIInChI=1S/C8H18O.C3H6N6.CH2O/c1-7(2)5-9-6-8(3)4;4-1-7-2(5)9-3(6)8-1;1-2/h7-8H,5-6H2,1-4H3;(H6,4,5,6,7,8,9);1H2
InChIKeyUPXDYZOLPJMPBJ-UHFFFAOYSA-N
XLogP0.75
TPSA143.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-methyl-1-(2-methylpropoxy)propane;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of formaldehyde;2-methyl-1-(2-methylpropoxy)propane;1,3,5-triazine-2,4,6-triamine (CID 161160905) is formaldehyde;2-methyl-1-(2-methylpropoxy)propane;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for formaldehyde;2-methyl-1-(2-methylpropoxy)propane;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for formaldehyde;2-methyl-1-(2-methylpropoxy)propane;1,3,5-triazine-2,4,6-triamine is C=O.CC(C)COCC(C)C.Nc1nc(N)nc(N)n1.
What is the InChIKey of formaldehyde;2-methyl-1-(2-methylpropoxy)propane;1,3,5-triazine-2,4,6-triamine?
The InChIKey is UPXDYZOLPJMPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C3H6N6.CH2O/c1-7(2)5-9-6-8(3)4;4-1-7-2(5)9-3(6)8-1;1-2/h7-8H,5-6H2,1-4H3;(H6,4,5,6,7,8,9);1H2.
What are the key properties of formaldehyde;2-methyl-1-(2-methylpropoxy)propane;1,3,5-triazine-2,4,6-triamine?
formaldehyde;2-methyl-1-(2-methylpropoxy)propane;1,3,5-triazine-2,4,6-triamine has a molecular weight of 286.38 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-methyl-1-(2-methylpropoxy)propane;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 161160905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).