6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-amine

C27H36N8 — CID 71504255

IUPAC6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-amine
SMILESC=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(C)C)c3)cn2CCN2CCC2)CC1
InChIInChI=1S/C27H36N8/c1-4-22-25(28)30-18-31-27(22)34-12-7-20(8-13-34)26-32-24(17-35(26)15-14-33-10-5-11-33)21-6-9-29-23(16-21)19(2)3/h4,6,9,16-20H,1,5,7-8,10-15H2,2-3H3,(H2,28,30,31)
InChIKeyXDCFPLHPOOPKGK-UHFFFAOYSA-N
MW472.64 g/mol
LogP4.17
Rot. Bonds8

About 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-amine

6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-amine (PubChem CID 71504255) has the molecular formula C27H36N8 and a molecular weight of 472.64 g/mol. Its IUPAC name is 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-amine
PubChem CID71504255
Molecular FormulaC27H36N8
Molecular Weight472.64 g/mol
Exact Mass472.31
IUPAC Name6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-amine
SMILESC=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(C)C)c3)cn2CCN2CCC2)CC1
InChIInChI=1S/C27H36N8/c1-4-22-25(28)30-18-31-27(22)34-12-7-20(8-13-34)26-32-24(17-35(26)15-14-33-10-5-11-33)21-6-9-29-23(16-21)19(2)3/h4,6,9,16-20H,1,5,7-8,10-15H2,2-3H3,(H2,28,30,31)
InChIKeyXDCFPLHPOOPKGK-UHFFFAOYSA-N
XLogP4.17
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.64
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-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 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-amine?
The IUPAC name of 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-amine (CID 71504255) is 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-amine?
The canonical SMILES for 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-amine is C=Cc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C(C)C)c3)cn2CCN2CCC2)CC1.
What is the InChIKey of 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-amine?
The InChIKey is XDCFPLHPOOPKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N8/c1-4-22-25(28)30-18-31-27(22)34-12-7-20(8-13-34)26-32-24(17-35(26)15-14-33-10-5-11-33)21-6-9-29-23(16-21)19(2)3/h4,6,9,16-20H,1,5,7-8,10-15H2,2-3H3,(H2,28,30,31).
What are the key properties of 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-amine?
6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-amine has a molecular weight of 472.64 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(2-propan-2-yl-4-pyridinyl)imidazol-2-yl]piperidin-1-yl]-5-ethenylpyrimidin-4-amine is sourced from PubChem (CID 71504255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).