6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine

C8H10N6O2 — CID 106424499

IUPAC6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCc2ccno2)n1
InChIInChI=1S/C8H10N6O2/c1-15-8-13-6(9)12-7(14-8)10-4-5-2-3-11-16-5/h2-3H,4H2,1H3,(H3,9,10,12,13,14)
InChIKeyFXWUMAJIHIHFGY-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.06
Rot. Bonds4

About 6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine

6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 106424499) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is 6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID106424499
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1nc(N)nc(NCc2ccno2)n1
InChIInChI=1S/C8H10N6O2/c1-15-8-13-6(9)12-7(14-8)10-4-5-2-3-11-16-5/h2-3H,4H2,1H3,(H3,9,10,12,13,14)
InChIKeyFXWUMAJIHIHFGY-UHFFFAOYSA-N
XLogP0.06
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-(1,2-oxazol-5-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106424603
6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80777487
6-methoxy-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773315
6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80807450
6-methoxy-2-N-[(4-methyl-3-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 114957865
2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-methoxy-1,3,5-triazine-2,4-diamine
CID 114139975
2-N-(2,3-dimethylbutyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80844381
6-methoxy-2-N-(3-methoxypropyl)-1,3,5-triazine-2,4-diamine
CID 80772368
6-methoxy-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 80829595
2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80813996
N-[(4-aminophenyl)methyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62860362
2-N-(4-fluorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80760934

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 106424499) is 6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine is COc1nc(N)nc(NCc2ccno2)n1.
What is the InChIKey of 6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FXWUMAJIHIHFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c1-15-8-13-6(9)12-7(14-8)10-4-5-2-3-11-16-5/h2-3H,4H2,1H3,(H3,9,10,12,13,14).
What are the key properties of 6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 222.21 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(1,2-oxazol-5-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106424499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).