2-[(4,5-dimethylimidazol-1-yl)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

C14H17N5 — CID 71931376

IUPAC2-[(4,5-dimethylimidazol-1-yl)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(Cn3cnc(C)c3C)nc2n1
InChIInChI=1S/C14H17N5/c1-9-5-10(2)19-7-13(17-14(19)16-9)6-18-8-15-11(3)12(18)4/h5,7-8H,6H2,1-4H3
InChIKeyHUNXUZWLHAXDCS-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.21
Rot. Bonds2

About 2-[(4,5-dimethylimidazol-1-yl)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine

2-[(4,5-dimethylimidazol-1-yl)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (PubChem CID 71931376) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(4,5-dimethylimidazol-1-yl)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(4,5-dimethylimidazol-1-yl)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
PubChem CID71931376
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name2-[(4,5-dimethylimidazol-1-yl)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(Cn3cnc(C)c3C)nc2n1
InChIInChI=1S/C14H17N5/c1-9-5-10(2)19-7-13(17-14(19)16-9)6-18-8-15-11(3)12(18)4/h5,7-8H,6H2,1-4H3
InChIKeyHUNXUZWLHAXDCS-UHFFFAOYSA-N
XLogP2.21
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylimidazol-1-yl)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(4,5-dimethylimidazol-1-yl)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine (CID 71931376) is 2-[(4,5-dimethylimidazol-1-yl)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(4,5-dimethylimidazol-1-yl)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(4,5-dimethylimidazol-1-yl)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(Cn3cnc(C)c3C)nc2n1.
What is the InChIKey of 2-[(4,5-dimethylimidazol-1-yl)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
The InChIKey is HUNXUZWLHAXDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-9-5-10(2)19-7-13(17-14(19)16-9)6-18-8-15-11(3)12(18)4/h5,7-8H,6H2,1-4H3.
What are the key properties of 2-[(4,5-dimethylimidazol-1-yl)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine?
2-[(4,5-dimethylimidazol-1-yl)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine has a molecular weight of 255.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylimidazol-1-yl)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 71931376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).