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

C9H10Cl2N6 — CID 62870794

IUPAC4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCn1ccnc1CCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H10Cl2N6/c1-17-5-4-12-6(17)2-3-13-9-15-7(10)14-8(11)16-9/h4-5H,2-3H2,1H3,(H,13,14,15,16)
InChIKeyGEFRJCUJTWVPEY-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.57
Rot. Bonds4

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

4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 62870794) has the molecular formula C9H10Cl2N6 and a molecular weight of 273.13 g/mol. Its IUPAC name is 4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
PubChem CID62870794
Molecular FormulaC9H10Cl2N6
Molecular Weight273.13 g/mol
Exact Mass272.03
IUPAC Name4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCn1ccnc1CCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H10Cl2N6/c1-17-5-4-12-6(17)2-3-13-9-15-7(10)14-8(11)16-9/h4-5H,2-3H2,1H3,(H,13,14,15,16)
InChIKeyGEFRJCUJTWVPEY-UHFFFAOYSA-N
XLogP1.57
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863973
5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 79556038
5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80816975
3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 102750907
5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine
CID 105362496
6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 63587851
3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527468
4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637048
2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527755
4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 83182047
2-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propan-2-amine
CID 64503751
3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine (CID 62870794) is 4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine is Cn1ccnc1CCNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is GEFRJCUJTWVPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N6/c1-17-5-4-12-6(17)2-3-13-9-15-7(10)14-8(11)16-9/h4-5H,2-3H2,1H3,(H,13,14,15,16).
What are the key properties of 4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 273.13 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 62870794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).