1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone

C23H25N5O — CID 127248630

IUPAC1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCC(c3ncncc3-c3ccnc(N)c3)C2)cc1C
InChIInChI=1S/C23H25N5O/c1-15-3-4-17(9-16(15)2)10-22(29)28-8-6-19(13-28)23-20(12-25-14-27-23)18-5-7-26-21(24)11-18/h3-5,7,9,11-12,14,19H,6,8,10,13H2,1-2H3,(H2,24,26)
InChIKeyLIAFNQMAWQZLNX-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.30
Rot. Bonds4

About 1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone

1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone (PubChem CID 127248630) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
PubChem CID127248630
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)N2CCC(c3ncncc3-c3ccnc(N)c3)C2)cc1C
InChIInChI=1S/C23H25N5O/c1-15-3-4-17(9-16(15)2)10-22(29)28-8-6-19(13-28)23-20(12-25-14-27-23)18-5-7-26-21(24)11-18/h3-5,7,9,11-12,14,19H,6,8,10,13H2,1-2H3,(H2,24,26)
InChIKeyLIAFNQMAWQZLNX-UHFFFAOYSA-N
XLogP3.30
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone with MolForge

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Related Compounds

1-[(3S)-3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 125013341
1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 110130603
1-[2-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]morpholin-4-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 110092846
2-(3,4-dimethylphenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110766864
2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 60654838
2-(2-amino-1,3-benzothiazol-6-yl)-1-[(3S)-3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 95834637
2-(3,4-dimethylphenyl)-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509955
2-(2-methylbenzimidazol-1-yl)-1-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 110213945
1-[4-(aminomethyl)piperidin-1-yl]-2-(3,4-dimethylphenyl)ethanone
CID 62538155
1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124998813
2-(3,4-dimethylphenyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 63107174
1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 126468602

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone (CID 127248630) is 1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone is Cc1ccc(CC(=O)N2CCC(c3ncncc3-c3ccnc(N)c3)C2)cc1C.
What is the InChIKey of 1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is LIAFNQMAWQZLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-15-3-4-17(9-16(15)2)10-22(29)28-8-6-19(13-28)23-20(12-25-14-27-23)18-5-7-26-21(24)11-18/h3-5,7,9,11-12,14,19H,6,8,10,13H2,1-2H3,(H2,24,26).
What are the key properties of 1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone?
1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone has a molecular weight of 387.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(2-amino-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 127248630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).