4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine

C11H16N6O2 — CID 81173608

IUPAC4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NCc2ccon2)n1
InChIInChI=1S/C11H16N6O2/c1-3-5-18-11-15-9(12-2)14-10(16-11)13-7-8-4-6-19-17-8/h4,6H,3,5,7H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyZVNCSRUFVDWZHB-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.30
Rot. Bonds7

About 4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine

4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 81173608) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID81173608
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(NCc2ccon2)n1
InChIInChI=1S/C11H16N6O2/c1-3-5-18-11-15-9(12-2)14-10(16-11)13-7-8-4-6-19-17-8/h4,6H,3,5,7H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyZVNCSRUFVDWZHB-UHFFFAOYSA-N
XLogP1.30
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-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

4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine
CID 79493008
2-N-(1,2-oxazol-3-ylmethyl)-6-propoxypyridine-2,5-diamine
CID 81170070
4-N-methyl-2-N-(2-phenylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80772443
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
4-N-methyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80829677
2-N-[2-(dimethylamino)-2-methylpropyl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80815568
4-N-methyl-2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 103012354
4-N-methyl-2-N-(2-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80767949
2-N-(4-methoxybutyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80812604
6-[[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855305
2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80758431
4-N-ethyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 106412322

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 81173608) is 4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NC)nc(NCc2ccon2)n1.
What is the InChIKey of 4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is ZVNCSRUFVDWZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-3-5-18-11-15-9(12-2)14-10(16-11)13-7-8-4-6-19-17-8/h4,6H,3,5,7H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 264.29 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 81173608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).