2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine

C18H29N3 — CID 129074127

IUPAC2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine
SMILESCCC(C)(CC)c1ccn2cc(C(C)(CC)CC)nc2n1
InChIInChI=1S/C18H29N3/c1-7-17(5,8-2)14-11-12-21-13-15(20-16(21)19-14)18(6,9-3)10-4/h11-13H,7-10H2,1-6H3
InChIKeyGROIQSLCEHTNIC-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.88
Rot. Bonds6

About 2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine

2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine (PubChem CID 129074127) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine
PubChem CID129074127
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine
SMILESCCC(C)(CC)c1ccn2cc(C(C)(CC)CC)nc2n1
InChIInChI=1S/C18H29N3/c1-7-17(5,8-2)14-11-12-21-13-15(20-16(21)19-14)18(6,9-3)10-4/h11-13H,7-10H2,1-6H3
InChIKeyGROIQSLCEHTNIC-UHFFFAOYSA-N
XLogP4.88
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-tert-butyl-2-propan-2-ylimidazo[1,2-a]pyrimidine
CID 58415246
2-tert-butylimidazo[1,2-a]pyrimidine;2,2-dimethylpropane
CID 158552648
2-bromo-6-(3-methylpentan-3-yl)pyridine
CID 126672300
2-tert-butyl-7-methylimidazo[1,2-a]pyridin-8-amine
CID 82059965
ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate
CID 66677880
2-tert-butylimidazo[1,2-a]pyrimidine-6-carbaldehyde
CID 83832182
(2-tert-butylimidazo[1,2-a]pyridin-8-yl)methanol
CID 46205731
8-N-methyl-8-N-(2-methylbutan-2-yl)-6-N-propylimidazo[1,2-a]pyrazine-6,8-diamine
CID 80839758
6-tert-butyl-2-(2-imidazo[1,2-a][1,3,5]triazin-7-yl-2-methylpropyl)imidazo[1,2-b][1,2,4]triazine
CID 126724656
6-N-ethyl-8-N-methyl-8-N-(2-methylbutan-2-yl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80838608
5-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58270253
2-tert-butylimidazo[1,5-a]pyrimidine
CID 138656525

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine (CID 129074127) is 2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine is CCC(C)(CC)c1ccn2cc(C(C)(CC)CC)nc2n1.
What is the InChIKey of 2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine?
The InChIKey is GROIQSLCEHTNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-7-17(5,8-2)14-11-12-21-13-15(20-16(21)19-14)18(6,9-3)10-4/h11-13H,7-10H2,1-6H3.
What are the key properties of 2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine?
2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine has a molecular weight of 287.45 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(3-methylpentan-3-yl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 129074127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).