2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine

C16H29N5O3 — CID 58341531

IUPAC2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
SMILESCOCN(C)c1nc(C2CCC(C)C2)nc(N(COC)COC)n1
InChIInChI=1S/C16H29N5O3/c1-12-6-7-13(8-12)14-17-15(20(2)9-22-3)19-16(18-14)21(10-23-4)11-24-5/h12-13H,6-11H2,1-5H3
InChIKeyZMNFAMKDLHEMPV-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.83
Rot. Bonds9

About 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine (PubChem CID 58341531) has the molecular formula C16H29N5O3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
PubChem CID58341531
Molecular FormulaC16H29N5O3
Molecular Weight339.44 g/mol
Exact Mass339.23
IUPAC Name2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine
SMILESCOCN(C)c1nc(C2CCC(C)C2)nc(N(COC)COC)n1
InChIInChI=1S/C16H29N5O3/c1-12-6-7-13(8-12)14-17-15(20(2)9-22-3)19-16(18-14)21(10-23-4)11-24-5/h12-13H,6-11H2,1-5H3
InChIKeyZMNFAMKDLHEMPV-UHFFFAOYSA-N
XLogP1.83
TPSA72.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2,4-dimethoxy-6-[(2S)-2-methylbutyl]-1,3,5-triazine
CID 102586830
[[4-[Bis(hydroxymethyl)amino]-6-(3-methylcyclopentyl)-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
CID 57536627
N-[4-[bis(methoxymethyl)amino]-6-(3-methylcyclopentyl)-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 57536644
[[4-[Bis(hydroxymethyl)amino]-6-cyclopentyl-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
CID 57536648
N-[4-[bis(methoxymethyl)amino]-6-cyclopentyl-1,3,5-triazin-2-yl]-N-(methoxymethyl)acetamide
CID 57536649
2-N,4-N-bis(butoxymethyl)-6-cyclohexyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58341510
4-(2-butoxyethyl)-N-(butoxymethyl)-6-cyclopentyl-N-methyl-1,3,5-triazin-2-amine
CID 58341516
4-cyclopentyl-6-(2-methoxyethyl)-N-(methoxymethyl)-N-methyl-1,3,5-triazin-2-amine
CID 58341517
2-N,4-N-bis(butoxymethyl)-6-cyclopentyl-2-N-(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58341523
4-cyclohexyl-6-(2-methoxyethyl)-N-(methoxymethyl)-N-methyl-1,3,5-triazin-2-amine
CID 58341524
6-cyclopentyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58341525
6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 58341526

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine (CID 58341531) is 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine is COCN(C)c1nc(C2CCC(C)C2)nc(N(COC)COC)n1.
What is the InChIKey of 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZMNFAMKDLHEMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O3/c1-12-6-7-13(8-12)14-17-15(20(2)9-22-3)19-16(18-14)21(10-23-4)11-24-5/h12-13H,6-11H2,1-5H3.
What are the key properties of 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 339.44 g/mol, XLogP of 1.83, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-tris(methoxymethyl)-4-N-methyl-6-(3-methylcyclopentyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58341531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).