2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine

C17H25N3 — CID 141336132

IUPAC2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1nc2ncccn2c1CC1CCCCC1
InChIInChI=1S/C17H25N3/c1-17(2,3)15-14(12-13-8-5-4-6-9-13)20-11-7-10-18-16(20)19-15/h7,10-11,13H,4-6,8-9,12H2,1-3H3
InChIKeyIBXOGZFKMVUTQN-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.15
Rot. Bonds2

About 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine

2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine (PubChem CID 141336132) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine
PubChem CID141336132
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1nc2ncccn2c1CC1CCCCC1
InChIInChI=1S/C17H25N3/c1-17(2,3)15-14(12-13-8-5-4-6-9-13)20-11-7-10-18-16(20)19-15/h7,10-11,13H,4-6,8-9,12H2,1-3H3
InChIKeyIBXOGZFKMVUTQN-UHFFFAOYSA-N
XLogP4.15
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine (CID 141336132) is 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine is CC(C)(C)c1nc2ncccn2c1CC1CCCCC1.
What is the InChIKey of 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is IBXOGZFKMVUTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-17(2,3)15-14(12-13-8-5-4-6-9-13)20-11-7-10-18-16(20)19-15/h7,10-11,13H,4-6,8-9,12H2,1-3H3.
What are the key properties of 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine?
2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 271.41 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(cyclohexylmethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 141336132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).