1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone

C19H25N5O3 — CID 124990655

IUPAC1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCO[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1
InChIInChI=1S/C19H25N5O3/c1-12-7-13(2)22-19(21-12)23-15-8-14(3)20-16(9-15)17-10-24(5-6-27-17)18(25)11-26-4/h7-9,17H,5-6,10-11H2,1-4H3,(H,20,21,22,23)/t17-/m1/s1
InChIKeyPDGGGBGDFJLMGX-QGZVFWFLSA-N
MW371.44 g/mol
LogP2.09
Rot. Bonds5

About 1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone

1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone (PubChem CID 124990655) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone
PubChem CID124990655
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCO[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1
InChIInChI=1S/C19H25N5O3/c1-12-7-13(2)22-19(21-12)23-15-8-14(3)20-16(9-15)17-10-24(5-6-27-17)18(25)11-26-4/h7-9,17H,5-6,10-11H2,1-4H3,(H,20,21,22,23)/t17-/m1/s1
InChIKeyPDGGGBGDFJLMGX-QGZVFWFLSA-N
XLogP2.09
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124967445
4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine
CID 125025381
1-[(2R)-2-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-phenoxyethanone
CID 124965152
2-(3-methoxyphenyl)-1-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]ethanone
CID 127251609
2-(2-fluorophenoxy)-1-[(2R)-2-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
CID 124989078
1-[2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-morpholin-4-ylpropan-1-one
CID 110093631
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124990126
1-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110264963
3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 110264929
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 124955633
(3-methoxyphenyl)-[(2S)-2-[6-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 125013159
(2-methoxy-3-methylphenyl)-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 124965406

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone?
The IUPAC name of 1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone (CID 124990655) is 1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone is COCC(=O)N1CCO[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1.
What is the InChIKey of 1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone?
The InChIKey is PDGGGBGDFJLMGX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-12-7-13(2)22-19(21-12)23-15-8-14(3)20-16(9-15)17-10-24(5-6-27-17)18(25)11-26-4/h7-9,17H,5-6,10-11H2,1-4H3,(H,20,21,22,23)/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone?
1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone has a molecular weight of 371.44 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-methoxyethanone is sourced from PubChem (CID 124990655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).