(3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone

C15H16N4O — CID 124953337

IUPAC(3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
SMILESCc1cccnc1C(=O)N1CCC[C@H]1c1ccncn1
InChIInChI=1S/C15H16N4O/c1-11-4-2-7-17-14(11)15(20)19-9-3-5-13(19)12-6-8-16-10-18-12/h2,4,6-8,10,13H,3,5,9H2,1H3/t13-/m0/s1
InChIKeyDUROTIBFEITIEC-ZDUSSCGKSA-N
MW268.32 g/mol
LogP2.16
Rot. Bonds2

About (3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone

(3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone (PubChem CID 124953337) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is (3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
PubChem CID124953337
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name(3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
SMILESCc1cccnc1C(=O)N1CCC[C@H]1c1ccncn1
InChIInChI=1S/C15H16N4O/c1-11-4-2-7-17-14(11)15(20)19-9-3-5-13(19)12-6-8-16-10-18-12/h2,4,6-8,10,13H,3,5,9H2,1H3/t13-/m0/s1
InChIKeyDUROTIBFEITIEC-ZDUSSCGKSA-N
XLogP2.16
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylpyrimidin-4-yl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 124978935
[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 124946102
[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124949721
[(2R)-2-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 125002559
1,6-dimethyl-3-(2-pyrimidin-4-ylpyrrolidine-1-carbonyl)pyridin-2-one
CID 110118870
cyclobutyl-[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95730645
2,3-dihydro-1H-inden-5-yl-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone
CID 110114784
1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62339102
1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64560694
2,3-dihydro-1,4-benzodioxin-5-yl-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone
CID 125017528
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 110129480
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone (CID 124953337) is (3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone is Cc1cccnc1C(=O)N1CCC[C@H]1c1ccncn1.
What is the InChIKey of (3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone?
The InChIKey is DUROTIBFEITIEC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-4-2-7-17-14(11)15(20)19-9-3-5-13(19)12-6-8-16-10-18-12/h2,4,6-8,10,13H,3,5,9H2,1H3/t13-/m0/s1.
What are the key properties of (3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone?
(3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone has a molecular weight of 268.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-pyridinyl)-[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 124953337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).