(2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine

C18H19ClN4O — CID 99828055

IUPAC(2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine
SMILESC[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1cn2cccnc2n1
InChIInChI=1S/C18H19ClN4O/c1-13-12-24-17(14-4-2-5-15(19)8-14)11-23(13)10-16-9-22-7-3-6-20-18(22)21-16/h2-9,13,17H,10-12H2,1H3/t13-,17+/m0/s1
InChIKeyHGYQHIFJVYWLGL-SUMWQHHRSA-N
MW342.83 g/mol
LogP3.34
Rot. Bonds3

About (2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine

(2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine (PubChem CID 99828055) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is (2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine.

Molecular Properties

Compound Name(2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine
PubChem CID99828055
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name(2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine
SMILESC[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1cn2cccnc2n1
InChIInChI=1S/C18H19ClN4O/c1-13-12-24-17(14-4-2-5-15(19)8-14)11-23(13)10-16-9-22-7-3-6-20-18(22)21-16/h2-9,13,17H,10-12H2,1H3/t13-,17+/m0/s1
InChIKeyHGYQHIFJVYWLGL-SUMWQHHRSA-N
XLogP3.34
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine?
The IUPAC name of (2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine (CID 99828055) is (2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine.
What is the SMILES notation for (2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine?
The canonical SMILES for (2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine is C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1cn2cccnc2n1.
What is the InChIKey of (2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine?
The InChIKey is HGYQHIFJVYWLGL-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-13-12-24-17(14-4-2-5-15(19)8-14)11-23(13)10-16-9-22-7-3-6-20-18(22)21-16/h2-9,13,17H,10-12H2,1H3/t13-,17+/m0/s1.
What are the key properties of (2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine?
(2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine has a molecular weight of 342.83 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-(3-chlorophenyl)-4-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-methylmorpholine is sourced from PubChem (CID 99828055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).