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

C12H17ClN6O — CID 62863973

IUPAC4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(NCCc2nccn2C)n1
InChIInChI=1S/C12H17ClN6O/c1-8(2)20-12-17-10(13)16-11(18-12)15-5-4-9-14-6-7-19(9)3/h6-8H,4-5H2,1-3H3,(H,15,16,17,18)
InChIKeyRUWYJWIGWXORIW-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.70
Rot. Bonds6

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

4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 62863973) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID62863973
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC Name4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(Cl)nc(NCCc2nccn2C)n1
InChIInChI=1S/C12H17ClN6O/c1-8(2)20-12-17-10(13)16-11(18-12)15-5-4-9-14-6-7-19(9)3/h6-8H,4-5H2,1-3H3,(H,15,16,17,18)
InChIKeyRUWYJWIGWXORIW-UHFFFAOYSA-N
XLogP1.70
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62870794
4-N-ethyl-2-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80814989
4-chloro-N-[2-(4-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63549067
5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 79556038
N-methyl-4-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 79738564
N-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 62869366
4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106038270
4-chloro-N-[2-(cyclopenten-1-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 106197331
4-chloro-N-(3-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863715
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66329570
4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 63330777
4-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine
CID 112637652

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 62863973) is 4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(Cl)nc(NCCc2nccn2C)n1.
What is the InChIKey of 4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is RUWYJWIGWXORIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6O/c1-8(2)20-12-17-10(13)16-11(18-12)15-5-4-9-14-6-7-19(9)3/h6-8H,4-5H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 296.76 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).