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

C5H9N5O — CID 22912606

IUPAC2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCOCNc1ncnc(N)n1
InChIInChI=1S/C5H9N5O/c1-11-3-9-5-8-2-7-4(6)10-5/h2H,3H2,1H3,(H3,6,7,8,9,10)
InChIKeyCIDQSLHFWOYPAP-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.53
Rot. Bonds3

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

2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 22912606) has the molecular formula C5H9N5O and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine
PubChem CID22912606
Molecular FormulaC5H9N5O
Molecular Weight155.16 g/mol
Exact Mass155.08
IUPAC Name2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine
SMILESCOCNc1ncnc(N)n1
InChIInChI=1S/C5H9N5O/c1-11-3-9-5-8-2-7-4(6)10-5/h2H,3H2,1H3,(H3,6,7,8,9,10)
InChIKeyCIDQSLHFWOYPAP-UHFFFAOYSA-N
XLogP-0.53
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
4-Methoxy-1,3,5-triazin-2-amine
CID 14288
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
N-sym-triazinyl-N-methoxyguanidine
CID 129799035
4,6-dimethoxy-N-methyl-1,3,5-triazin-2-amine
CID 35017
N,N'-Dimethyl-6-methoxy-s-triazine-2,4-diamine
CID 35108

Frequently Asked Questions

What is the IUPAC name of 2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine (CID 22912606) is 2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine is COCNc1ncnc(N)n1.
What is the InChIKey of 2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is CIDQSLHFWOYPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O/c1-11-3-9-5-8-2-7-4(6)10-5/h2H,3H2,1H3,(H3,6,7,8,9,10).
What are the key properties of 2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine?
2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 155.16 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(methoxymethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22912606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).