(2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine

C17H24N6O — CID 124960811

IUPAC(2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
SMILESCc1cnc([C@@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)[nH]1
InChIInChI=1S/C17H24N6O/c1-13-10-19-16(20-13)15-12-22(8-9-24-15)11-14-4-5-18-17(21-14)23-6-2-3-7-23/h4-5,10,15H,2-3,6-9,11-12H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyGXCPVQSJXWWESE-HNNXBMFYSA-N
MW328.42 g/mol
LogP1.68
Rot. Bonds4

About (2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine

(2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine (PubChem CID 124960811) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
PubChem CID124960811
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
SMILESCc1cnc([C@@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)[nH]1
InChIInChI=1S/C17H24N6O/c1-13-10-19-16(20-13)15-12-22(8-9-24-15)11-14-4-5-18-17(21-14)23-6-2-3-7-23/h4-5,10,15H,2-3,6-9,11-12H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyGXCPVQSJXWWESE-HNNXBMFYSA-N
XLogP1.68
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
CID 124960812
2-(2,6-dimethylpyrimidin-4-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
CID 110115987
N-methyl-6-[(2R)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 125027230
2-(5-methyl-1H-imidazol-2-yl)-4-(2-methylpyrimidin-4-yl)morpholine
CID 132775431
(2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 125017640
(2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 124963019
2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine
CID 110104945
2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 110104978
4-(1H-indol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 155983471
2-(5-methylpyrazin-2-yl)-4-[(2-methylpyrimidin-4-yl)methyl]morpholine
CID 110103266
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 125010402
3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
CID 124969004

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine?
The IUPAC name of (2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine (CID 124960811) is (2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine is Cc1cnc([C@@H]2CN(Cc3ccnc(N4CCCC4)n3)CCO2)[nH]1.
What is the InChIKey of (2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine?
The InChIKey is GXCPVQSJXWWESE-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-10-19-16(20-13)15-12-22(8-9-24-15)11-14-4-5-18-17(21-14)23-6-2-3-7-23/h4-5,10,15H,2-3,6-9,11-12H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine?
(2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine has a molecular weight of 328.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5-methyl-1H-imidazol-2-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine is sourced from PubChem (CID 124960811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).