(1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

C18H22N6O2 — CID 10904343

IUPAC(1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H]1CN(c2nc3ccncc3o2)C[C@H](C)N1c1ccnc([C@@H](C)O)n1
InChIInChI=1S/C18H22N6O2/c1-11-9-23(18-21-14-4-6-19-8-15(14)26-18)10-12(2)24(11)16-5-7-20-17(22-16)13(3)25/h4-8,11-13,25H,9-10H2,1-3H3/t11-,12+,13-/m1/s1
InChIKeyFXGPTHJUNMZVSD-FRRDWIJNSA-N
MW354.41 g/mol
LogP2.17
Rot. Bonds3

About (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol

(1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (PubChem CID 10904343) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
PubChem CID10904343
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name(1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol
SMILESC[C@@H]1CN(c2nc3ccncc3o2)C[C@H](C)N1c1ccnc([C@@H](C)O)n1
InChIInChI=1S/C18H22N6O2/c1-11-9-23(18-21-14-4-6-19-8-15(14)26-18)10-12(2)24(11)16-5-7-20-17(22-16)13(3)25/h4-8,11-13,25H,9-10H2,1-3H3/t11-,12+,13-/m1/s1
InChIKeyFXGPTHJUNMZVSD-FRRDWIJNSA-N
XLogP2.17
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The IUPAC name of (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol (CID 10904343) is (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The canonical SMILES for (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is C[C@@H]1CN(c2nc3ccncc3o2)C[C@H](C)N1c1ccnc([C@@H](C)O)n1.
What is the InChIKey of (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
The InChIKey is FXGPTHJUNMZVSD-FRRDWIJNSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-11-9-23(18-21-14-4-6-19-8-15(14)26-18)10-12(2)24(11)16-5-7-20-17(22-16)13(3)25/h4-8,11-13,25H,9-10H2,1-3H3/t11-,12+,13-/m1/s1.
What are the key properties of (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol?
(1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol has a molecular weight of 354.41 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(2R,6S)-2,6-dimethyl-4-([1,3]oxazolo[5,4-c]pyridin-2-yl)piperazin-1-yl]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 10904343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).