(1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol

C21H28N8O — CID 10136152

IUPAC(1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1cn(-c2nccc(N3C[C@@H](C)N(c4ccnc([C@@H](C)O)n4)[C@@H](C)C3)n2)c(C)n1
InChIInChI=1S/C21H28N8O/c1-13-10-28(17(5)24-13)21-23-9-6-18(26-21)27-11-14(2)29(15(3)12-27)19-7-8-22-20(25-19)16(4)30/h6-10,14-16,30H,11-12H2,1-5H3/t14-,15+,16-/m1/s1
InChIKeyWEMUMVQYFQWGAP-OWCLPIDISA-N
MW408.51 g/mol
LogP2.23
Rot. Bonds4

About (1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol

(1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 10136152) has the molecular formula C21H28N8O and a molecular weight of 408.51 g/mol. Its IUPAC name is (1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID10136152
Molecular FormulaC21H28N8O
Molecular Weight408.51 g/mol
Exact Mass408.24
IUPAC Name(1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1cn(-c2nccc(N3C[C@@H](C)N(c4ccnc([C@@H](C)O)n4)[C@@H](C)C3)n2)c(C)n1
InChIInChI=1S/C21H28N8O/c1-13-10-28(17(5)24-13)21-23-9-6-18(26-21)27-11-14(2)29(15(3)12-27)19-7-8-22-20(25-19)16(4)30/h6-10,14-16,30H,11-12H2,1-5H3/t14-,15+,16-/m1/s1
InChIKeyWEMUMVQYFQWGAP-OWCLPIDISA-N
XLogP2.23
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol 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 (1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol (CID 10136152) is (1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol is Cc1cn(-c2nccc(N3C[C@@H](C)N(c4ccnc([C@@H](C)O)n4)[C@@H](C)C3)n2)c(C)n1.
What is the InChIKey of (1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is WEMUMVQYFQWGAP-OWCLPIDISA-N. The full InChI is InChI=1S/C21H28N8O/c1-13-10-28(17(5)24-13)21-23-9-6-18(26-21)27-11-14(2)29(15(3)12-27)19-7-8-22-20(25-19)16(4)30/h6-10,14-16,30H,11-12H2,1-5H3/t14-,15+,16-/m1/s1.
What are the key properties of (1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 408.51 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(2S,6R)-4-[2-(2,4-dimethylimidazol-1-yl)pyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 10136152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).