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

C11H16N6O2 — CID 80813996

IUPAC2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCc2cc(C)no2)n1
InChIInChI=1S/C11H16N6O2/c1-3-4-18-11-15-9(12)14-10(16-11)13-6-8-5-7(2)17-19-8/h5H,3-4,6H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyFNQCDLOHDSMOES-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.15
Rot. Bonds6

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

2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80813996) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID80813996
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(N)nc(NCc2cc(C)no2)n1
InChIInChI=1S/C11H16N6O2/c1-3-4-18-11-15-9(12)14-10(16-11)13-6-8-5-7(2)17-19-8/h5H,3-4,6H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyFNQCDLOHDSMOES-UHFFFAOYSA-N
XLogP1.15
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-N-[(3-methylphenyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80790129
6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine
CID 80813528
2-N-[(3-methyl-4-pyridinyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114702251
2-N-[(1-methylimidazol-2-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80830560
6-propoxy-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773060
2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80814258
6-propoxy-2-N-(3,3,3-trifluoropropyl)-1,3,5-triazine-2,4-diamine
CID 80828179
3-[(4-amino-6-propoxy-1,3,5-triazin-2-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198615
2-N-[(4-methylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80827677
2-N-[(4-ethylcyclohexyl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80792133
2-N-(2,5-dimethylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80763432
4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62862594

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine (CID 80813996) is 2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(N)nc(NCc2cc(C)no2)n1.
What is the InChIKey of 2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is FNQCDLOHDSMOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-3-4-18-11-15-9(12)14-10(16-11)13-6-8-5-7(2)17-19-8/h5H,3-4,6H2,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 264.29 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80813996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).