3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one

C25H29N5O2 — CID 92616264

IUPAC3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccccc1
InChIInChI=1S/C25H29N5O2/c1-16-14-17(2)29(5)23(31)21(16)24(32)30-13-9-12-20(30)22-19(18-10-7-6-8-11-18)15-26-25(27-22)28(3)4/h6-8,10-11,14-15,20H,9,12-13H2,1-5H3/t20-/m0/s1
InChIKeyGPTPQCYFRWWNPA-FQEVSTJZSA-N
MW431.54 g/mol
LogP3.50
Rot. Bonds4

About 3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one

3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one (PubChem CID 92616264) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
PubChem CID92616264
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccccc1
InChIInChI=1S/C25H29N5O2/c1-16-14-17(2)29(5)23(31)21(16)24(32)30-13-9-12-20(30)22-19(18-10-7-6-8-11-18)15-26-25(27-22)28(3)4/h6-8,10-11,14-15,20H,9,12-13H2,1-5H3/t20-/m0/s1
InChIKeyGPTPQCYFRWWNPA-FQEVSTJZSA-N
XLogP3.50
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one with MolForge

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Related Compounds

3-[(2S)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
CID 92602626
[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 110266280
[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110218333
3-[4-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione
CID 92616416
N-[1-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]benzamide
CID 129453383
[(2R)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 92554449
[(2R)-2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 92616329
1-[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-4-(4-fluorophenyl)butan-1-one
CID 110266247
[(2S)-2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 92616092
[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 110266357
[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 110266148
[(2R)-2-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 92616047

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The IUPAC name of 3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one (CID 92616264) is 3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one.
What is the SMILES notation for 3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The canonical SMILES for 3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one is Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccccc1.
What is the InChIKey of 3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
The InChIKey is GPTPQCYFRWWNPA-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-16-14-17(2)29(5)23(31)21(16)24(32)30-13-9-12-20(30)22-19(18-10-7-6-8-11-18)15-26-25(27-22)28(3)4/h6-8,10-11,14-15,20H,9,12-13H2,1-5H3/t20-/m0/s1.
What are the key properties of 3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one?
3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one has a molecular weight of 431.54 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one is sourced from PubChem (CID 92616264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).