2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

C13H20N6O2 — CID 80835417

IUPAC2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)c2c(C)noc2C)nc(OC)n1
InChIInChI=1S/C13H20N6O2/c1-6-14-11-16-12(18-13(17-11)20-5)15-7(2)10-8(3)19-21-9(10)4/h7H,6H2,1-5H3,(H2,14,15,16,17,18)
InChIKeyJAHXEXAVCVKIMM-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.09
Rot. Bonds6

About 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80835417) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID80835417
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NC(C)c2c(C)noc2C)nc(OC)n1
InChIInChI=1S/C13H20N6O2/c1-6-14-11-16-12(18-13(17-11)20-5)15-7(2)10-8(3)19-21-9(10)4/h7H,6H2,1-5H3,(H2,14,15,16,17,18)
InChIKeyJAHXEXAVCVKIMM-UHFFFAOYSA-N
XLogP2.09
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-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-N-ethyl-6-methoxy-2-N-[1-(5-methylthiophen-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80800600
N-ethyl-2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]propanamide
CID 80800941
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961774
4-N-ethyl-6-methoxy-2-N-(1-thiophen-3-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80825243
4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80847941
2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80835627
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxy-3-methylbutan-2-amine
CID 114228241
5-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrimidin-2-amine
CID 78961715
4-N-ethyl-6-methoxy-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80782030
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybutan-2-amine
CID 115720129
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659817
4-N-ethyl-2-N-[1-(furan-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80775608

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine (CID 80835417) is 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is CCNc1nc(NC(C)c2c(C)noc2C)nc(OC)n1.
What is the InChIKey of 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is JAHXEXAVCVKIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-6-14-11-16-12(18-13(17-11)20-5)15-7(2)10-8(3)19-21-9(10)4/h7H,6H2,1-5H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 292.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80835417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).