4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine

C9H10Cl2N4O — CID 89167576

IUPAC4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine
SMILESCC1=CCC(CNc2nc(Cl)nc(Cl)n2)O1
InChIInChI=1S/C9H10Cl2N4O/c1-5-2-3-6(16-5)4-12-9-14-7(10)13-8(11)15-9/h2,6H,3-4H2,1H3,(H,12,13,14,15)
InChIKeyZQHLJUFXICXPQO-UHFFFAOYSA-N
MW261.11 g/mol
LogP2.28
Rot. Bonds3

About 4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine

4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine (PubChem CID 89167576) has the molecular formula C9H10Cl2N4O and a molecular weight of 261.11 g/mol. Its IUPAC name is 4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine
PubChem CID89167576
Molecular FormulaC9H10Cl2N4O
Molecular Weight261.11 g/mol
Exact Mass260.02
IUPAC Name4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine
SMILESCC1=CCC(CNc2nc(Cl)nc(Cl)n2)O1
InChIInChI=1S/C9H10Cl2N4O/c1-5-2-3-6(16-5)4-12-9-14-7(10)13-8(11)15-9/h2,6H,3-4H2,1H3,(H,12,13,14,15)
InChIKeyZQHLJUFXICXPQO-UHFFFAOYSA-N
XLogP2.28
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-(2,3-dihydrofuran-2-ylmethyl)-1,3,5-triazin-2-amine
CID 89167615
4-chloro-N-(2,3-dihydrofuran-2-ylmethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 89167772

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine (CID 89167576) is 4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine is CC1=CCC(CNc2nc(Cl)nc(Cl)n2)O1.
What is the InChIKey of 4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is ZQHLJUFXICXPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4O/c1-5-2-3-6(16-5)4-12-9-14-7(10)13-8(11)15-9/h2,6H,3-4H2,1H3,(H,12,13,14,15).
What are the key properties of 4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 261.11 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[(5-methyl-2,3-dihydrofuran-2-yl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 89167576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).