5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine

C24H27N7O — CID 57335927

IUPAC5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine
SMILESCC(C)(C)n1c(-c2ccc(N3CCOCC3)nc2)nc2cc(-c3cnc(N)nc3)ccc21
InChIInChI=1S/C24H27N7O/c1-24(2,3)31-20-6-4-16(18-14-27-23(25)28-15-18)12-19(20)29-22(31)17-5-7-21(26-13-17)30-8-10-32-11-9-30/h4-7,12-15H,8-11H2,1-3H3,(H2,25,27,28)
InChIKeyWPXZLALFJCMZLL-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.73
Rot. Bonds3

About 5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine

5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine (PubChem CID 57335927) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine
PubChem CID57335927
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine
SMILESCC(C)(C)n1c(-c2ccc(N3CCOCC3)nc2)nc2cc(-c3cnc(N)nc3)ccc21
InChIInChI=1S/C24H27N7O/c1-24(2,3)31-20-6-4-16(18-14-27-23(25)28-15-18)12-19(20)29-22(31)17-5-7-21(26-13-17)30-8-10-32-11-9-30/h4-7,12-15H,8-11H2,1-3H3,(H2,25,27,28)
InChIKeyWPXZLALFJCMZLL-UHFFFAOYSA-N
XLogP3.73
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine 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 5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine (CID 57335927) is 5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine is CC(C)(C)n1c(-c2ccc(N3CCOCC3)nc2)nc2cc(-c3cnc(N)nc3)ccc21.
What is the InChIKey of 5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine?
The InChIKey is WPXZLALFJCMZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-24(2,3)31-20-6-4-16(18-14-27-23(25)28-15-18)12-19(20)29-22(31)17-5-7-21(26-13-17)30-8-10-32-11-9-30/h4-7,12-15H,8-11H2,1-3H3,(H2,25,27,28).
What are the key properties of 5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine?
5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine has a molecular weight of 429.53 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-tert-butyl-2-(6-morpholin-4-yl-3-pyridinyl)benzimidazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 57335927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).