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

C12H18N6O2 — CID 106378619

IUPAC6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCc2ncc(C)o2)nc(OCC)n1
InChIInChI=1S/C12H18N6O2/c1-4-13-10-16-11(18-12(17-10)19-5-2)15-7-9-14-6-8(3)20-9/h6H,4-5,7H2,1-3H3,(H2,13,15,16,17,18)
InChIKeyWZEMASVCPCYTOT-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.61
Rot. Bonds7

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

6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 106378619) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
PubChem CID106378619
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCc2ncc(C)o2)nc(OCC)n1
InChIInChI=1S/C12H18N6O2/c1-4-13-10-16-11(18-12(17-10)19-5-2)15-7-9-14-6-8(3)20-9/h6H,4-5,7H2,1-3H3,(H2,13,15,16,17,18)
InChIKeyWZEMASVCPCYTOT-UHFFFAOYSA-N
XLogP1.61
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-ethoxy-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinyl-1,3,5-triazin-2-amine
CID 106378956
5-chloro-2-N-ethyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 106378760
6-N-ethyl-2-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 106378679
2-N-ethyl-6-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106378642
3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine
CID 106378568
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
6-N,2-diethyl-5-methyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 106378700
4-ethoxy-N-ethyl-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863510
6-ethoxy-4-N-ethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762181
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366495
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 131107697

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine (CID 106378619) is 6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine is CCNc1nc(NCc2ncc(C)o2)nc(OCC)n1.
What is the InChIKey of 6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WZEMASVCPCYTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-4-13-10-16-11(18-12(17-10)19-5-2)15-7-9-14-6-8(3)20-9/h6H,4-5,7H2,1-3H3,(H2,13,15,16,17,18).
What are the key properties of 6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 278.32 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-ethyl-2-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106378619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).