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

C12H17ClN6O — CID 81062236

IUPAC4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine
SMILESCC(C)OCCN(C)c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H17ClN6O/c1-9(2)20-7-6-18(3)11-15-10(13)16-12(17-11)19-5-4-14-8-19/h4-5,8-9H,6-7H2,1-3H3
InChIKeyZUNJFDYQVCVSNP-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.57
Rot. Bonds6

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

4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine (PubChem CID 81062236) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine
PubChem CID81062236
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC Name4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine
SMILESCC(C)OCCN(C)c1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H17ClN6O/c1-9(2)20-7-6-18(3)11-15-10(13)16-12(17-11)19-5-4-14-8-19/h4-5,8-9H,6-7H2,1-3H3
InChIKeyZUNJFDYQVCVSNP-UHFFFAOYSA-N
XLogP1.57
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]pentan-1-ol
CID 107201782
4-chloro-6-imidazol-1-yl-N-(2-methylpropyl)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62865000
4-chloro-6-imidazol-1-yl-N-methyl-N-(pyridin-3-ylmethyl)-1,3,5-triazin-2-amine
CID 62864215
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-ethylamino]ethanol
CID 62862670
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-chloro-N-cycloheptyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 62865097
1-[[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)-methylamino]methyl]cyclopentan-1-ol
CID 114951004
4-chloro-6-imidazol-1-yl-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazin-2-amine
CID 62862931
4-chloro-6-imidazol-1-yl-N-methyl-N-(oxan-3-ylmethyl)-1,3,5-triazin-2-amine
CID 63706080
2-N-ethyl-6-imidazol-1-yl-4-N-methyl-4-N-(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80780584
4-chloro-6-imidazol-1-yl-N-methyl-N-(2-methyloxolan-3-yl)-1,3,5-triazin-2-amine
CID 82748550
4-hydrazinyl-N-methyl-N-(2-propan-2-yloxyethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 81062932

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine (CID 81062236) is 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine is CC(C)OCCN(C)c1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine?
The InChIKey is ZUNJFDYQVCVSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6O/c1-9(2)20-7-6-18(3)11-15-10(13)16-12(17-11)19-5-4-14-8-19/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-methyl-N-(2-propan-2-yloxyethyl)-1,3,5-triazin-2-amine has a molecular weight of 296.76 g/mol, XLogP of 1.57, 6 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-propan-2-yloxyethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 81062236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).