[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone

C17H22N6O2 — CID 129478934

IUPAC[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)c(C)n1
InChIInChI=1S/C17H22N6O2/c1-11-13(9-19-12(2)20-11)16(24)23-7-8-25-15(10-23)14-5-6-18-17(21-14)22(3)4/h5-6,9,15H,7-8,10H2,1-4H3/t15-/m1/s1
InChIKeyUZXYPWHMRSBNRD-OAHLLOKOSA-N
MW342.40 g/mol
LogP1.16
Rot. Bonds3

About [(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone

[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone (PubChem CID 129478934) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is [(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
PubChem CID129478934
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
SMILESCc1ncc(C(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)c(C)n1
InChIInChI=1S/C17H22N6O2/c1-11-13(9-19-12(2)20-11)16(24)23-7-8-25-15(10-23)14-5-6-18-17(21-14)22(3)4/h5-6,9,15H,7-8,10H2,1-4H3/t15-/m1/s1
InChIKeyUZXYPWHMRSBNRD-OAHLLOKOSA-N
XLogP1.16
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680
(3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128964934
[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 127248837
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone
CID 128971349
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 129328387
(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]methanone
CID 110115620
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 128974121
1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
CID 129479017
[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone
CID 129478452
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 129477542
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-pyrrol-3-yl)methanone
CID 128964952
cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128995208

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone?
The IUPAC name of [(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone (CID 129478934) is [(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone is Cc1ncc(C(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)c(C)n1.
What is the InChIKey of [(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone?
The InChIKey is UZXYPWHMRSBNRD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11-13(9-19-12(2)20-11)16(24)23-7-8-25-15(10-23)14-5-6-18-17(21-14)22(3)4/h5-6,9,15H,7-8,10H2,1-4H3/t15-/m1/s1.
What are the key properties of [(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone?
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone has a molecular weight of 342.40 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone is sourced from PubChem (CID 129478934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).