4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide

C22H28N8OS — CID 89443041

IUPAC4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESNC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccsc3)cn2CCN2CCC2)CC1
InChIInChI=1S/C22H28N8OS/c23-19-18(20(24)31)22(26-14-25-19)29-7-2-15(3-8-29)21-27-17(16-4-11-32-13-16)12-30(21)10-9-28-5-1-6-28/h4,11-15H,1-3,5-10H2,(H2,24,31)(H2,23,25,26)
InChIKeyQHFPMNTVJHAPJM-UHFFFAOYSA-N
MW452.59 g/mol
LogP2.17
Rot. Bonds7

About 4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide

4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 89443041) has the molecular formula C22H28N8OS and a molecular weight of 452.59 g/mol. Its IUPAC name is 4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
PubChem CID89443041
Molecular FormulaC22H28N8OS
Molecular Weight452.59 g/mol
Exact Mass452.21
IUPAC Name4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
SMILESNC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccsc3)cn2CCN2CCC2)CC1
InChIInChI=1S/C22H28N8OS/c23-19-18(20(24)31)22(26-14-25-19)29-7-2-15(3-8-29)21-27-17(16-4-11-32-13-16)12-30(21)10-9-28-5-1-6-28/h4,11-15H,1-3,5-10H2,(H2,24,31)(H2,23,25,26)
InChIKeyQHFPMNTVJHAPJM-UHFFFAOYSA-N
XLogP2.17
TPSA119.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.59
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide (CID 89443041) is 4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide is NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccsc3)cn2CCN2CCC2)CC1.
What is the InChIKey of 4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is QHFPMNTVJHAPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N8OS/c23-19-18(20(24)31)22(26-14-25-19)29-7-2-15(3-8-29)21-27-17(16-4-11-32-13-16)12-30(21)10-9-28-5-1-6-28/h4,11-15H,1-3,5-10H2,(H2,24,31)(H2,23,25,26).
What are the key properties of 4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide?
4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 452.59 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-thiophen-3-ylimidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 89443041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).