N-(trimethoxymethyl)-1,3,5-triazin-2-amine

C7H12N4O3 — CID 91614289

IUPACN-(trimethoxymethyl)-1,3,5-triazin-2-amine
SMILESCOC(Nc1ncncn1)(OC)OC
InChIInChI=1S/C7H12N4O3/c1-12-7(13-2,14-3)11-6-9-4-8-5-10-6/h4-5H,1-3H3,(H,8,9,10,11)
InChIKeyLOXOFJILCRPFTD-UHFFFAOYSA-N
MW200.20 g/mol
LogP-0.17
Rot. Bonds5

About N-(trimethoxymethyl)-1,3,5-triazin-2-amine

N-(trimethoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 91614289) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is N-(trimethoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(trimethoxymethyl)-1,3,5-triazin-2-amine
PubChem CID91614289
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC NameN-(trimethoxymethyl)-1,3,5-triazin-2-amine
SMILESCOC(Nc1ncncn1)(OC)OC
InChIInChI=1S/C7H12N4O3/c1-12-7(13-2,14-3)11-6-9-4-8-5-10-6/h4-5H,1-3H3,(H,8,9,10,11)
InChIKeyLOXOFJILCRPFTD-UHFFFAOYSA-N
XLogP-0.17
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-1,3,5-triazin-2-amine
CID 14288
Dimethoxymethylmelamine
CID 18695060
4-Methoxy-6-methylamino-1,3,5-triazin
CID 20133980
Trimethoxymethylmelamine
CID 21189409
methyl N-(1,3,5-triazin-2-yl)carbamate
CID 19704296
Methyl carbamate;1,3,5-triazine
CID 21253744
N-(methoxymethyl)-1,3,5-triazin-2-amine
CID 22912604
2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine
CID 22912606
2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine
CID 70225516
N-(triethoxymethyl)-1,3,5-triazin-2-amine
CID 91328286
2-N-(dimethoxymethyl)-4-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine
CID 140380079
methyl N-(1,3,5-triazin-2-yl)carbamate;hydrochloride
CID 142640056

Frequently Asked Questions

What is the IUPAC name of N-(trimethoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-(trimethoxymethyl)-1,3,5-triazin-2-amine (CID 91614289) is N-(trimethoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(trimethoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(trimethoxymethyl)-1,3,5-triazin-2-amine is COC(Nc1ncncn1)(OC)OC.
What is the InChIKey of N-(trimethoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is LOXOFJILCRPFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-12-7(13-2,14-3)11-6-9-4-8-5-10-6/h4-5H,1-3H3,(H,8,9,10,11).
What are the key properties of N-(trimethoxymethyl)-1,3,5-triazin-2-amine?
N-(trimethoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 200.20 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trimethoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 91614289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).