4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine

C11H13ClN4O2 — CID 62869024

IUPAC4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCc2ccco2)n1
InChIInChI=1S/C11H13ClN4O2/c1-2-5-18-11-15-9(12)14-10(16-11)13-7-8-4-3-6-17-8/h3-4,6H,2,5,7H2,1H3,(H,13,14,15,16)
InChIKeyIYAAHHAIWMMOLS-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.52
Rot. Bonds6

About 4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine

4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 62869024) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID62869024
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(NCc2ccco2)n1
InChIInChI=1S/C11H13ClN4O2/c1-2-5-18-11-15-9(12)14-10(16-11)13-7-8-4-3-6-17-8/h3-4,6H,2,5,7H2,1H3,(H,13,14,15,16)
InChIKeyIYAAHHAIWMMOLS-UHFFFAOYSA-N
XLogP2.52
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine with MolForge

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Related Compounds

6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
4-chloro-6-ethoxy-N-[2-(furan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62857408
4-chloro-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62870574
4-chloro-6-propoxy-N-(pyridin-4-ylmethyl)-1,3,5-triazin-2-amine
CID 62870587
4-ethoxy-N-(furan-2-ylmethyl)-6-methyl-1,3,5-triazin-2-amine
CID 143835245
4-chloro-N-[(6-methyl-2-pyridinyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62864682
4-chloro-N-[(2-methylpyrazol-3-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 55205368
[4-(furan-2-ylmethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909640
4-chloro-6-propoxy-N-(1H-pyrazol-5-ylmethyl)-1,3,5-triazin-2-amine
CID 106194334
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 694087
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
4-chloro-N-[2-(2-methylphenyl)ethyl]-6-propoxy-1,3,5-triazin-2-amine
CID 79755619

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine (CID 62869024) is 4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(NCc2ccco2)n1.
What is the InChIKey of 4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is IYAAHHAIWMMOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-2-5-18-11-15-9(12)14-10(16-11)13-7-8-4-3-6-17-8/h3-4,6H,2,5,7H2,1H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 268.70 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).