4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine

C9H11N5O3 — CID 79493008

IUPAC4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NCc2ccon2)nc(OC)n1
InChIInChI=1S/C9H11N5O3/c1-15-8-11-7(12-9(13-8)16-2)10-5-6-3-4-17-14-6/h3-4H,5H2,1-2H3,(H,10,11,12,13)
InChIKeyGDRVTMVDMYPQCG-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.49
Rot. Bonds5

About 4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine

4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 79493008) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID79493008
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(NCc2ccon2)nc(OC)n1
InChIInChI=1S/C9H11N5O3/c1-15-8-11-7(12-9(13-8)16-2)10-5-6-3-4-17-14-6/h3-4H,5H2,1-2H3,(H,10,11,12,13)
InChIKeyGDRVTMVDMYPQCG-UHFFFAOYSA-N
XLogP0.49
TPSA95.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-methyl-2-N-(1,2-oxazol-3-ylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 81173608
4,6-dimethoxy-N-[(1-methylpyrazol-3-yl)methyl]-1,3,5-triazin-2-amine
CID 82874162
5-iodo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine
CID 104844042
2-N-methyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-2,4-diamine
CID 81174009
4,6-dimethoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,5-triazin-2-amine
CID 62859987
5-methoxy-2-methyl-N-(1,2-oxazol-3-ylmethyl)pyridin-4-amine
CID 106660618
5-bromo-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine
CID 79492912
2-methoxy-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 62544782
5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-2-amine
CID 115750236
2,3,4,5,6-pentafluoro-N-(1,2-oxazol-3-ylmethyl)aniline
CID 81177136
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 81170956
6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrazin-2-amine
CID 79493420

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine (CID 79493008) is 4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine is COc1nc(NCc2ccon2)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is GDRVTMVDMYPQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-15-8-11-7(12-9(13-8)16-2)10-5-6-3-4-17-14-6/h3-4H,5H2,1-2H3,(H,10,11,12,13).
What are the key properties of 4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 237.22 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(1,2-oxazol-3-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 79493008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).