(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide

C17H22N6O2 — CID 129477542

IUPAC(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide
SMILESCc1ccnc(NC(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)c1
InChIInChI=1S/C17H22N6O2/c1-12-4-6-18-15(10-12)21-17(24)23-8-9-25-14(11-23)13-5-7-19-16(20-13)22(2)3/h4-7,10,14H,8-9,11H2,1-3H3,(H,18,21,24)/t14-/m1/s1
InChIKeyRIBJEAAMNAGWLH-CQSZACIVSA-N
MW342.40 g/mol
LogP1.85
Rot. Bonds3

About (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide

(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide (PubChem CID 129477542) 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]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide
PubChem CID129477542
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide
SMILESCc1ccnc(NC(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)c1
InChIInChI=1S/C17H22N6O2/c1-12-4-6-18-15(10-12)21-17(24)23-8-9-25-14(11-23)13-5-7-19-16(20-13)22(2)3/h4-7,10,14H,8-9,11H2,1-3H3,(H,18,21,24)/t14-/m1/s1
InChIKeyRIBJEAAMNAGWLH-CQSZACIVSA-N
XLogP1.85
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
CID 129479017
(2S)-N-[(1R)-1-cyclobutylethyl]-2-[2-(dimethylamino)pyrimidin-4-yl]morpholine-4-carboxamide
CID 129492360
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 129328387
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 129478934
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide
CID 129341058
(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)morpholine-4-carboxamide
CID 129478043
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 129473669
(2S)-N-(4-methyl-2-pyridinyl)-2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholine-4-carboxamide
CID 129333071
cyclohepten-1-yl-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128995208
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-pyrrol-3-yl)methanone
CID 128964952
[(1R,2S)-2-cyclopropylcyclopropyl]-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 129341565
(4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128971704

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide (CID 129477542) is (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide is Cc1ccnc(NC(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)c1.
What is the InChIKey of (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide?
The InChIKey is RIBJEAAMNAGWLH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12-4-6-18-15(10-12)21-17(24)23-8-9-25-14(11-23)13-5-7-19-16(20-13)22(2)3/h4-7,10,14H,8-9,11H2,1-3H3,(H,18,21,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide?
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide is sourced from PubChem (CID 129477542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).