4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine

C10H11ClN4O2 — CID 87237610

IUPAC4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine
SMILESCCOc1coc(CNc2ncnc(Cl)n2)c1
InChIInChI=1S/C10H11ClN4O2/c1-2-16-8-3-7(17-5-8)4-12-10-14-6-13-9(11)15-10/h3,5-6H,2,4H2,1H3,(H,12,13,14,15)
InChIKeyYNTCZPDEMRBFMY-UHFFFAOYSA-N
MW254.68 g/mol
LogP2.13
Rot. Bonds5

About 4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine

4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine (PubChem CID 87237610) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine
PubChem CID87237610
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine
SMILESCCOc1coc(CNc2ncnc(Cl)n2)c1
InChIInChI=1S/C10H11ClN4O2/c1-2-16-8-3-7(17-5-8)4-12-10-14-6-13-9(11)15-10/h3,5-6H,2,4H2,1H3,(H,12,13,14,15)
InChIKeyYNTCZPDEMRBFMY-UHFFFAOYSA-N
XLogP2.13
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine (CID 87237610) is 4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine is CCOc1coc(CNc2ncnc(Cl)n2)c1.
What is the InChIKey of 4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is YNTCZPDEMRBFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-2-16-8-3-7(17-5-8)4-12-10-14-6-13-9(11)15-10/h3,5-6H,2,4H2,1H3,(H,12,13,14,15).
What are the key properties of 4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine?
4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 254.68 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-ethoxyfuran-2-yl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 87237610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).