2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine

C7H13N5O2 — CID 70225516

IUPAC2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCOCNc1ncnc(NCOC)n1
InChIInChI=1S/C7H13N5O2/c1-13-4-10-6-8-3-9-7(12-6)11-5-14-2/h3H,4-5H2,1-2H3,(H2,8,9,10,11,12)
InChIKeyNFLRYLRQTVGJKQ-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.10
Rot. Bonds6

About 2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 70225516) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine
PubChem CID70225516
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCOCNc1ncnc(NCOC)n1
InChIInChI=1S/C7H13N5O2/c1-13-4-10-6-8-3-9-7(12-6)11-5-14-2/h3H,4-5H2,1-2H3,(H2,8,9,10,11,12)
InChIKeyNFLRYLRQTVGJKQ-UHFFFAOYSA-N
XLogP-0.10
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
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

N-(Methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 77943
N,N',N''-Tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 75492
TriMMM
CID 20067384
4-Methoxy-1,3,5-triazin-2-amine
CID 14288
2,4-Dimethoxy-1,3,5-triazine
CID 243963
6-methoxy-N,N,N'-trimethyl-1,3,5-triazine-2,4-diamine
CID 2189417
N-methyl-1,3,5-triazin-2-amine
CID 19952
4-Methoxy-6-methylamino-1,3,5-triazin
CID 20133980
2-Methoxy-4-dimethylamino-1,3,5-triazine
CID 20209895
2-Amino-4-(methylamino)-1,3,5-triazine
CID 53424410
[(1,3,5-Triazin-2-yl)amino]methanol
CID 54175469
4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine
CID 35017

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine (CID 70225516) is 2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine is COCNc1ncnc(NCOC)n1.
What is the InChIKey of 2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NFLRYLRQTVGJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-13-4-10-6-8-3-9-7(12-6)11-5-14-2/h3H,4-5H2,1-2H3,(H2,8,9,10,11,12).
What are the key properties of 2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 199.21 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(methoxymethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 70225516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).