2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid

C14H28N6O5S — CID 86665988

IUPAC2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid
SMILESCCCNc1nc(NCCC)nc(N(C)OCC2CC2)n1.O=S(=O)(O)O
InChIInChI=1S/C14H26N6O.H2O4S/c1-4-8-15-12-17-13(16-9-5-2)19-14(18-12)20(3)21-10-11-6-7-11;1-5(2,3)4/h11H,4-10H2,1-3H3,(H2,15,16,17,18,19);(H2,1,2,3,4)
InChIKeyQGQKTVCGUCXXJR-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.64
Rot. Bonds10

About 2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid

2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid (PubChem CID 86665988) has the molecular formula C14H28N6O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid.

Molecular Properties

Compound Name2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid
PubChem CID86665988
Molecular FormulaC14H28N6O5S
Molecular Weight392.48 g/mol
Exact Mass392.18
IUPAC Name2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid
SMILESCCCNc1nc(NCCC)nc(N(C)OCC2CC2)n1.O=S(=O)(O)O
InChIInChI=1S/C14H26N6O.H2O4S/c1-4-8-15-12-17-13(16-9-5-2)19-14(18-12)20(3)21-10-11-6-7-11;1-5(2,3)4/h11H,4-10H2,1-3H3,(H2,15,16,17,18,19);(H2,1,2,3,4)
InChIKeyQGQKTVCGUCXXJR-UHFFFAOYSA-N
XLogP1.64
TPSA149.80 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid with MolForge

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Launch Full Analysis

Related Compounds

2-N,2-N-dimethyl-4-N-[(3-methylcyclopentyl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 107415912
2-N-methyl-6-N-propyl-2-N-prop-2-ynoxy-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 90175611
3-[[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 106138050
6-chloro-2-N-[2-(cyclopropylmethoxy)ethyl]-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80852697
[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]cyclopentyl]methanol
CID 106368088
4-N-cyclohexyl-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80766155
N-[2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethyl]methanesulfonamide
CID 80775196
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80765149
2-N-(cyclopropylmethyl)-2-N-ethyl-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80839849
6-chloro-2-N-(4-ethylcyclohexyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80779089
2-N,2-N-dimethyl-6-N-propyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine
CID 103065188
(E)-but-2-enedioic acid;2-N-methoxy-2-N-methyl-6-N-propyl-4-N-prop-2-ynyl-1,3,5-triazine-2,4,6-triamine
CID 74767750

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid?
The IUPAC name of 2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid (CID 86665988) is 2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid.
What is the SMILES notation for 2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid?
The canonical SMILES for 2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid is CCCNc1nc(NCCC)nc(N(C)OCC2CC2)n1.O=S(=O)(O)O.
What is the InChIKey of 2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid?
The InChIKey is QGQKTVCGUCXXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O.H2O4S/c1-4-8-15-12-17-13(16-9-5-2)19-14(18-12)20(3)21-10-11-6-7-11;1-5(2,3)4/h11H,4-10H2,1-3H3,(H2,15,16,17,18,19);(H2,1,2,3,4).
What are the key properties of 2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid?
2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid has a molecular weight of 392.48 g/mol, XLogP of 1.64, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethoxy)-2-N-methyl-4-N,6-N-dipropyl-1,3,5-triazine-2,4,6-triamine;sulfuric acid is sourced from PubChem (CID 86665988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).