(1R)-1-[4-[(2S,6R)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol

C20H26N8O — CID 10157477

IUPAC(1R)-1-[4-[(2S,6R)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1cn(-c2nccc(N3C[C@@H](C)N(c4ccnc([C@@H](C)O)n4)[C@@H](C)C3)n2)cn1
InChIInChI=1S/C20H26N8O/c1-13-9-27(12-23-13)20-22-8-5-17(25-20)26-10-14(2)28(15(3)11-26)18-6-7-21-19(24-18)16(4)29/h5-9,12,14-16,29H,10-11H2,1-4H3/t14-,15+,16-/m1/s1
InChIKeyUOBDMGUAUKCVNY-OWCLPIDISA-N
MW394.48 g/mol
LogP1.92
Rot. Bonds4

About (1R)-1-[4-[(2S,6R)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol

(1R)-1-[4-[(2S,6R)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 10157477) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is (1R)-1-[4-[(2S,6R)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(2S,6R)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID10157477
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC Name(1R)-1-[4-[(2S,6R)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESCc1cn(-c2nccc(N3C[C@@H](C)N(c4ccnc([C@@H](C)O)n4)[C@@H](C)C3)n2)cn1
InChIInChI=1S/C20H26N8O/c1-13-9-27(12-23-13)20-22-8-5-17(25-20)26-10-14(2)28(15(3)11-26)18-6-7-21-19(24-18)16(4)29/h5-9,12,14-16,29H,10-11H2,1-4H3/t14-,15+,16-/m1/s1
InChIKeyUOBDMGUAUKCVNY-OWCLPIDISA-N
XLogP1.92
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (1R)-1-[4-[(2S,6R)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-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)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[(2S,6R)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 10157477) is (1R)-1-[4-[(2S,6R)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(2S,6R)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[(2S,6R)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-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)cn1.
What is the InChIKey of (1R)-1-[4-[(2S,6R)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is UOBDMGUAUKCVNY-OWCLPIDISA-N. The full InChI is InChI=1S/C20H26N8O/c1-13-9-27(12-23-13)20-22-8-5-17(25-20)26-10-14(2)28(15(3)11-26)18-6-7-21-19(24-18)16(4)29/h5-9,12,14-16,29H,10-11H2,1-4H3/t14-,15+,16-/m1/s1.
What are the key properties of (1R)-1-[4-[(2S,6R)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[(2S,6R)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 394.48 g/mol, XLogP of 1.92, 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)-2,6-dimethyl-4-[2-(4-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 10157477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).