2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one

C17H21N5O2 — CID 131644722

IUPAC2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one
SMILESCC(C)C(=O)N1CCOCC1c1nccc(Nc2ccccn2)n1
InChIInChI=1S/C17H21N5O2/c1-12(2)17(23)22-9-10-24-11-13(22)16-19-8-6-15(21-16)20-14-5-3-4-7-18-14/h3-8,12-13H,9-11H2,1-2H3,(H,18,19,20,21)
InChIKeyODPIGMVHTSCNNP-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.17
Rot. Bonds4

About 2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one

2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one (PubChem CID 131644722) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one
PubChem CID131644722
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one
SMILESCC(C)C(=O)N1CCOCC1c1nccc(Nc2ccccn2)n1
InChIInChI=1S/C17H21N5O2/c1-12(2)17(23)22-9-10-24-11-13(22)16-19-8-6-15(21-16)20-14-5-3-4-7-18-14/h3-8,12-13H,9-11H2,1-2H3,(H,18,19,20,21)
InChIKeyODPIGMVHTSCNNP-UHFFFAOYSA-N
XLogP2.17
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]ethanone
CID 97487080
phenyl-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]methanone
CID 133140572
2-phenyl-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131657179
1-[3-(4-anilinopyrimidin-2-yl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 131638506
2-[(3S)-4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 97485536
2-[4-(furan-3-ylmethyl)morpholin-3-yl]-N-pyridin-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155832288
[(3R)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483141
[(3S)-3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 97483143
N-propan-2-yl-2-[(3S)-4-(pyridin-2-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 97487405
2-cyclopentyloxy-1-[3-[4-(propan-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]ethanone
CID 131644550
2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 97485841
[(3S)-3-[4-(cyclobutylamino)pyrimidin-2-yl]morpholin-4-yl]-(furan-2-yl)methanone
CID 97487478

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one (CID 131644722) is 2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one is CC(C)C(=O)N1CCOCC1c1nccc(Nc2ccccn2)n1.
What is the InChIKey of 2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one?
The InChIKey is ODPIGMVHTSCNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12(2)17(23)22-9-10-24-11-13(22)16-19-8-6-15(21-16)20-14-5-3-4-7-18-14/h3-8,12-13H,9-11H2,1-2H3,(H,18,19,20,21).
What are the key properties of 2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one?
2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one has a molecular weight of 327.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[4-(pyridin-2-ylamino)pyrimidin-2-yl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 131644722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).