4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine

C9H14Cl2N4O — CID 82961053

IUPAC4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCOCCN(c1nc(Cl)nc(Cl)n1)C(C)C
InChIInChI=1S/C9H14Cl2N4O/c1-6(2)15(4-5-16-3)9-13-7(10)12-8(11)14-9/h6H,4-5H2,1-3H3
InChIKeyQKOUPNCXDZEYJC-UHFFFAOYSA-N
MW265.14 g/mol
LogP2.04
Rot. Bonds5

About 4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine

4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 82961053) has the molecular formula C9H14Cl2N4O and a molecular weight of 265.14 g/mol. Its IUPAC name is 4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID82961053
Molecular FormulaC9H14Cl2N4O
Molecular Weight265.14 g/mol
Exact Mass264.05
IUPAC Name4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCOCCN(c1nc(Cl)nc(Cl)n1)C(C)C
InChIInChI=1S/C9H14Cl2N4O/c1-6(2)15(4-5-16-3)9-13-7(10)12-8(11)14-9/h6H,4-5H2,1-3H3
InChIKeyQKOUPNCXDZEYJC-UHFFFAOYSA-N
XLogP2.04
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine (CID 82961053) is 4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine is COCCN(c1nc(Cl)nc(Cl)n1)C(C)C.
What is the InChIKey of 4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is QKOUPNCXDZEYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N4O/c1-6(2)15(4-5-16-3)9-13-7(10)12-8(11)14-9/h6H,4-5H2,1-3H3.
What are the key properties of 4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 265.14 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 82961053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).