5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C12H16N4O — CID 24988079

IUPAC5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1C(=O)Nc2nc(N3CCCCC3)ncc21
InChIInChI=1S/C12H16N4O/c1-8-9-7-13-12(15-10(9)14-11(8)17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3,(H,13,14,15,17)
InChIKeyVTHQOFMSQYPCFX-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.52
Rot. Bonds1

About 5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 24988079) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID24988079
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1C(=O)Nc2nc(N3CCCCC3)ncc21
InChIInChI=1S/C12H16N4O/c1-8-9-7-13-12(15-10(9)14-11(8)17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3,(H,13,14,15,17)
InChIKeyVTHQOFMSQYPCFX-UHFFFAOYSA-N
XLogP1.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,5,7-trimethyl-2-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-6-one
CID 24988082
4-methyl-2-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 16653120
5-bromo-4-methyl-2-piperidin-1-ylpyrimidine
CID 82373594
5-fluoro-4-methylsulfinyl-2-piperidin-1-ylpyrimidine
CID 169090105
ethane;2-piperidin-1-ylpyrimidin-5-amine
CID 166532022
4-methyl-2-(4-methylazepan-1-yl)pyrimidine-5-carboxylic acid
CID 83181691
2-pyrrolidin-1-yl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 20867039
5-(1-chloroethyl)-4-methyl-2-piperidin-1-ylpyrimidine
CID 62771919
[2-(azepan-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83186430
2-(azepan-1-yl)-5-iodopyrimidin-4-amine
CID 66303712
2-piperidin-1-ylpteridine
CID 140624386
2-(azepan-1-yl)pyrimidine-5-carbaldehyde
CID 62756388

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 24988079) is 5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is CC1C(=O)Nc2nc(N3CCCCC3)ncc21.
What is the InChIKey of 5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is VTHQOFMSQYPCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-9-7-13-12(15-10(9)14-11(8)17)16-5-3-2-4-6-16/h7-8H,2-6H2,1H3,(H,13,14,15,17).
What are the key properties of 5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 232.29 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 24988079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).