4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine

C12H15ClN6O — CID 82748550

IUPAC4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine
SMILESCC1OCCC1N(C)c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H15ClN6O/c1-8-9(3-6-20-8)18(2)11-15-10(13)16-12(17-11)19-5-4-14-7-19/h4-5,7-9H,3,6H2,1-2H3
InChIKeyGVLLDGJFGOMVSZ-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.32
Rot. Bonds3

About 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine

4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine (PubChem CID 82748550) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine
PubChem CID82748550
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine
SMILESCC1OCCC1N(C)c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H15ClN6O/c1-8-9(3-6-20-8)18(2)11-15-10(13)16-12(17-11)19-5-4-14-7-19/h4-5,7-9H,3,6H2,1-2H3
InChIKeyGVLLDGJFGOMVSZ-UHFFFAOYSA-N
XLogP1.32
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine (CID 82748550) is 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine is CC1OCCC1N(C)c1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is GVLLDGJFGOMVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c1-8-9(3-6-20-8)18(2)11-15-10(13)16-12(17-11)19-5-4-14-7-19/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 294.75 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 82748550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).