2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine

C17H26N4 — CID 122183042

IUPAC2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
SMILESCc1ccn2c(CN3CCCCC3)c(C(C)(C)C)nc2n1
InChIInChI=1S/C17H26N4/c1-13-8-11-21-14(12-20-9-6-5-7-10-20)15(17(2,3)4)19-16(21)18-13/h8,11H,5-7,9-10,12H2,1-4H3
InChIKeyBRRPOTAVLNKPQX-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.32
Rot. Bonds2

About 2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine

2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine (PubChem CID 122183042) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
PubChem CID122183042
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
SMILESCc1ccn2c(CN3CCCCC3)c(C(C)(C)C)nc2n1
InChIInChI=1S/C17H26N4/c1-13-8-11-21-14(12-20-9-6-5-7-10-20)15(17(2,3)4)19-16(21)18-13/h8,11H,5-7,9-10,12H2,1-4H3
InChIKeyBRRPOTAVLNKPQX-UHFFFAOYSA-N
XLogP3.32
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine (CID 122183042) is 2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine is Cc1ccn2c(CN3CCCCC3)c(C(C)(C)C)nc2n1.
What is the InChIKey of 2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is BRRPOTAVLNKPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13-8-11-21-14(12-20-9-6-5-7-10-20)15(17(2,3)4)19-16(21)18-13/h8,11H,5-7,9-10,12H2,1-4H3.
What are the key properties of 2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine?
2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 286.42 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-methyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122183042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).