[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone

C24H27N5O2 — CID 95835638

IUPAC[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone
SMILESCOc1c(C)cccc1C(=O)N1CCC[C@@H]1c1cccc(Nc2nc(C)cc(C)n2)n1
InChIInChI=1S/C24H27N5O2/c1-15-8-5-9-18(22(15)31-4)23(30)29-13-7-11-20(29)19-10-6-12-21(27-19)28-24-25-16(2)14-17(3)26-24/h5-6,8-10,12,14,20H,7,11,13H2,1-4H3,(H,25,26,27,28)/t20-/m1/s1
InChIKeyBYKMDHRJCMSSTO-HXUWFJFHSA-N
MW417.51 g/mol
LogP4.53
Rot. Bonds5

About [(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone

[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone (PubChem CID 95835638) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is [(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone
PubChem CID95835638
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone
SMILESCOc1c(C)cccc1C(=O)N1CCC[C@@H]1c1cccc(Nc2nc(C)cc(C)n2)n1
InChIInChI=1S/C24H27N5O2/c1-15-8-5-9-18(22(15)31-4)23(30)29-13-7-11-20(29)19-10-6-12-21(27-19)28-24-25-16(2)14-17(3)26-24/h5-6,8-10,12,14,20H,7,11,13H2,1-4H3,(H,25,26,27,28)/t20-/m1/s1
InChIKeyBYKMDHRJCMSSTO-HXUWFJFHSA-N
XLogP4.53
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
CID 95835410
1-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95835184
[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 95835820
2-methoxy-1-[(2S)-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835160
1-[2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265055
(2,4-dimethylpyrimidin-5-yl)-[(2R)-2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95835423
1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 110265611
[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone
CID 92561331
[2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone
CID 110218481
2-(4-methoxyphenyl)-2-methyl-1-[2-[6-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110265442
2-(2,6-dimethylphenoxy)-1-[(2S)-2-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124976398
2,3-dihydro-1,4-benzodioxin-6-yl-[(2S)-2-[6-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95835106

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone?
The IUPAC name of [(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone (CID 95835638) is [(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for [(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone?
The canonical SMILES for [(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone is COc1c(C)cccc1C(=O)N1CCC[C@@H]1c1cccc(Nc2nc(C)cc(C)n2)n1.
What is the InChIKey of [(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone?
The InChIKey is BYKMDHRJCMSSTO-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-15-8-5-9-18(22(15)31-4)23(30)29-13-7-11-20(29)19-10-6-12-21(27-19)28-24-25-16(2)14-17(3)26-24/h5-6,8-10,12,14,20H,7,11,13H2,1-4H3,(H,25,26,27,28)/t20-/m1/s1.
What are the key properties of [(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone?
[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone has a molecular weight of 417.51 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 95835638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).