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

C12H18N6O2 — CID 106390397

IUPAC2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NC(C)c2ncc(C)o2)n1
InChIInChI=1S/C12H18N6O2/c1-4-5-19-12-17-10(13)16-11(18-12)15-8(3)9-14-6-7(2)20-9/h6,8H,4-5H2,1-3H3,(H3,13,15,16,17,18)
InChIKeyYXCMAWHDUSYKMO-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.71
Rot. Bonds6

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

2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 106390397) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID106390397
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NC(C)c2ncc(C)o2)n1
InChIInChI=1S/C12H18N6O2/c1-4-5-19-12-17-10(13)16-11(18-12)15-8(3)9-14-6-7(2)20-9/h6,8H,4-5H2,1-3H3,(H3,13,15,16,17,18)
InChIKeyYXCMAWHDUSYKMO-UHFFFAOYSA-N
XLogP1.71
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-N-[1-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80783677
2-N-pentan-3-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80769885
2-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80822126
2-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80803905
2-N-(5-methylhexan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80839472
2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]propane-1,3-diol
CID 80842284
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80825223
(2S)-2-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80849068
2-N-octan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80800093
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxypyrimidin-4-amine
CID 106388801
5-methoxy-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 106388852
2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80833385

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine (CID 106390397) is 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(NC(C)c2ncc(C)o2)n1.
What is the InChIKey of 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is YXCMAWHDUSYKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-4-5-19-12-17-10(13)16-11(18-12)15-8(3)9-14-6-7(2)20-9/h6,8H,4-5H2,1-3H3,(H3,13,15,16,17,18).
What are the key properties of 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 278.32 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106390397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).