(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone

C18H22N4O — CID 124994004

IUPAC(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCC[C@@H]2CCc2ccncc2)c(C)n1
InChIInChI=1S/C18H22N4O/c1-13-17(12-20-14(2)21-13)18(23)22-11-3-4-16(22)6-5-15-7-9-19-10-8-15/h7-10,12,16H,3-6,11H2,1-2H3/t16-/m1/s1
InChIKeyQBUWGTBENUJMPF-MRXNPFEDSA-N
MW310.40 g/mol
LogP2.73
Rot. Bonds4

About (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone

(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone (PubChem CID 124994004) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
PubChem CID124994004
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCC[C@@H]2CCc2ccncc2)c(C)n1
InChIInChI=1S/C18H22N4O/c1-13-17(12-20-14(2)21-13)18(23)22-11-3-4-16(22)6-5-15-7-9-19-10-8-15/h7-10,12,16H,3-6,11H2,1-2H3/t16-/m1/s1
InChIKeyQBUWGTBENUJMPF-MRXNPFEDSA-N
XLogP2.73
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(1-methylpyrazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 125014760
[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124969741
[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 124962989
(6-pyrazol-1-yl-3-pyridinyl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124994294
(5-methyl-3-propan-2-yl-1,2-oxazol-4-yl)-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 125005114
[1-(4-methoxyphenyl)cyclopropyl]-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 124954939
(2,4-dimethylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 56864739
2-ethoxy-1-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 125006542
3-phenoxy-1-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]propan-1-one
CID 124959275
2-(4-fluorophenoxy)-1-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]ethanone
CID 110103556
[2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110103609
[(2S)-2-[2-(2-methyl-4-pyridinyl)ethyl]pyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 124994050

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone (CID 124994004) is (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone is Cc1ncc(C(=O)N2CCC[C@@H]2CCc2ccncc2)c(C)n1.
What is the InChIKey of (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
The InChIKey is QBUWGTBENUJMPF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-17(12-20-14(2)21-13)18(23)22-11-3-4-16(22)6-5-15-7-9-19-10-8-15/h7-10,12,16H,3-6,11H2,1-2H3/t16-/m1/s1.
What are the key properties of (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone?
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone has a molecular weight of 310.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124994004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).