5,7-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C18H20N6O — CID 53250652

IUPAC5,7-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(CCc3nc(-c4ccc(C)o4)cn3C)nc2n1
InChIInChI=1S/C18H20N6O/c1-11-9-12(2)24-18(19-11)21-16(22-24)7-8-17-20-14(10-23(17)4)15-6-5-13(3)25-15/h5-6,9-10H,7-8H2,1-4H3
InChIKeyHNIMARXVTRNKRO-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.83
Rot. Bonds4

About 5,7-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 53250652) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 5,7-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID53250652
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name5,7-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(CCc3nc(-c4ccc(C)o4)cn3C)nc2n1
InChIInChI=1S/C18H20N6O/c1-11-9-12(2)24-18(19-11)21-16(22-24)7-8-17-20-14(10-23(17)4)15-6-5-13(3)25-15/h5-6,9-10H,7-8H2,1-4H3
InChIKeyHNIMARXVTRNKRO-UHFFFAOYSA-N
XLogP2.83
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 53250652) is 5,7-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(CCc3nc(-c4ccc(C)o4)cn3C)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is HNIMARXVTRNKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-11-9-12(2)24-18(19-11)21-16(22-24)7-8-17-20-14(10-23(17)4)15-6-5-13(3)25-15/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 5,7-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 336.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[2-[1-methyl-4-(5-methylfuran-2-yl)imidazol-2-yl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53250652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).