(2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride

C18H21Cl2N5O2 — CID 120939459

IUPAC(2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1.Cl.Cl
InChIInChI=1S/C18H19N5O2.2ClH/c1-12-16(19-8-10-25-12)17(24)21-14-5-3-13(4-6-14)15-11-23-9-2-7-20-18(23)22-15;;/h2-7,9,11-12,16,19H,8,10H2,1H3,(H,21,24);2*1H/t12-,16+;;/m1../s1
InChIKeyXMPOWWIEOCUCKC-JCTZKOOHSA-N
MW410.31 g/mol
LogP2.56
Rot. Bonds3

About (2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride

(2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride (PubChem CID 120939459) has the molecular formula C18H21Cl2N5O2 and a molecular weight of 410.31 g/mol. Its IUPAC name is (2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride
PubChem CID120939459
Molecular FormulaC18H21Cl2N5O2
Molecular Weight410.31 g/mol
Exact Mass409.11
IUPAC Name(2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1.Cl.Cl
InChIInChI=1S/C18H19N5O2.2ClH/c1-12-16(19-8-10-25-12)17(24)21-14-5-3-13(4-6-14)15-11-23-9-2-7-20-18(23)22-15;;/h2-7,9,11-12,16,19H,8,10H2,1H3,(H,21,24);2*1H/t12-,16+;;/m1../s1
InChIKeyXMPOWWIEOCUCKC-JCTZKOOHSA-N
XLogP2.56
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide
CID 120917971
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
2-hydroxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)cyclopentane-1-carboxamide
CID 110015358
(2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120924476
(2R,3S)-2-methyl-N-pyridin-2-ylmorpholine-3-carboxamide;dihydrochloride
CID 120937700
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 56512925
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-(3-chloro-4-pyrazol-1-ylphenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120930805
(2R,3S)-2-methyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)morpholine-3-carboxamide
CID 120940913
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-morpholin-4-ylacetamide
CID 75499509
(2R,3S)-N-(3-hydroxy-2-pyridinyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120943026
(2R,3S)-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]morpholine-3-carboxamide
CID 120920606

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride (CID 120939459) is (2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1.Cl.Cl.
What is the InChIKey of (2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride?
The InChIKey is XMPOWWIEOCUCKC-JCTZKOOHSA-N. The full InChI is InChI=1S/C18H19N5O2.2ClH/c1-12-16(19-8-10-25-12)17(24)21-14-5-3-13(4-6-14)15-11-23-9-2-7-20-18(23)22-15;;/h2-7,9,11-12,16,19H,8,10H2,1H3,(H,21,24);2*1H/t12-,16+;;/m1../s1.
What are the key properties of (2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride?
(2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride has a molecular weight of 410.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120939459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).