4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine

C13H13ClN6O — CID 62864098

IUPAC4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCc1ccc(C(C)Nc2nc(Cl)nc(-n3ccnc3)n2)o1
InChIInChI=1S/C13H13ClN6O/c1-8-3-4-10(21-8)9(2)16-12-17-11(14)18-13(19-12)20-6-5-15-7-20/h3-7,9H,1-2H3,(H,16,17,18,19)
InChIKeyDMNYGKHUMZSWGN-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.79
Rot. Bonds4

About 4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine

4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 62864098) has the molecular formula C13H13ClN6O and a molecular weight of 304.74 g/mol. Its IUPAC name is 4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine
PubChem CID62864098
Molecular FormulaC13H13ClN6O
Molecular Weight304.74 g/mol
Exact Mass304.08
IUPAC Name4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine
SMILESCc1ccc(C(C)Nc2nc(Cl)nc(-n3ccnc3)n2)o1
InChIInChI=1S/C13H13ClN6O/c1-8-3-4-10(21-8)9(2)16-12-17-11(14)18-13(19-12)20-6-5-15-7-20/h3-7,9H,1-2H3,(H,16,17,18,19)
InChIKeyDMNYGKHUMZSWGN-UHFFFAOYSA-N
XLogP2.79
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-6-imidazol-1-yl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 62869319
4-chloro-6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazin-2-amine
CID 106214337
4-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62864444
4-chloro-6-imidazol-1-yl-N-pent-4-yn-2-yl-1,3,5-triazin-2-amine
CID 114156803
4-chloro-6-imidazol-1-yl-N-(1-methylsulfonylpropan-2-yl)-1,3,5-triazin-2-amine
CID 64642088
4-chloro-N-(2,3-dimethylbutyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 64596820
6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]pyridin-3-amine
CID 43710701
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-chloro-N-(3,4-dimethylphenyl)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 62868476
4-chloro-6-imidazol-1-yl-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 62864454
4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62868144
N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222075

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine (CID 62864098) is 4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine is Cc1ccc(C(C)Nc2nc(Cl)nc(-n3ccnc3)n2)o1.
What is the InChIKey of 4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is DMNYGKHUMZSWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6O/c1-8-3-4-10(21-8)9(2)16-12-17-11(14)18-13(19-12)20-6-5-15-7-20/h3-7,9H,1-2H3,(H,16,17,18,19).
What are the key properties of 4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine?
4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 304.74 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-imidazol-1-yl-N-[1-(5-methylfuran-2-yl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).