6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione

C16H19IN4O2 — CID 11350799

IUPAC6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione
SMILESNC1CCCN(c2cc(=O)[nH]c(=O)n2Cc2ccccc2I)C1
InChIInChI=1S/C16H19IN4O2/c17-13-6-2-1-4-11(13)9-21-15(8-14(22)19-16(21)23)20-7-3-5-12(18)10-20/h1-2,4,6,8,12H,3,5,7,9-10,18H2,(H,19,22,23)
InChIKeySHWTVSFPUGCFIH-UHFFFAOYSA-N
MW426.26 g/mol
LogP1.12
Rot. Bonds3

About 6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione

6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 11350799) has the molecular formula C16H19IN4O2 and a molecular weight of 426.26 g/mol. Its IUPAC name is 6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione
PubChem CID11350799
Molecular FormulaC16H19IN4O2
Molecular Weight426.26 g/mol
Exact Mass426.06
IUPAC Name6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione
SMILESNC1CCCN(c2cc(=O)[nH]c(=O)n2Cc2ccccc2I)C1
InChIInChI=1S/C16H19IN4O2/c17-13-6-2-1-4-11(13)9-21-15(8-14(22)19-16(21)23)20-7-3-5-12(18)10-20/h1-2,4,6,8,12H,3,5,7,9-10,18H2,(H,19,22,23)
InChIKeySHWTVSFPUGCFIH-UHFFFAOYSA-N
XLogP1.12
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.26
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-[(2-cyanophenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
CID 11487504
6-[[6-[(3S)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbonitrile
CID 76974260
6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-1-[[2-[(methylideneamino)methyl]phenyl]methyl]pyrimidine-2,4-dione
CID 126516969
[2-[[6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]phenyl]-methyl-methylideneazanium
CID 123229318
2-[[6-[(3R)-3-aminopiperidin-1-yl]-2,4-dioxo-3-(trideuteriomethyl)pyrimidin-1-yl]methyl]benzonitrile
CID 71313111
2-[[6-[(3R)-3-aminopiperidin-1-yl]-2,4-dioxo-3-(trideuterio(113C)methyl)pyrimidin-1-yl]methyl]benzonitrile
CID 129009613
8-(3-aminoazepan-1-yl)-7-benzyl-1,3-dimethylpurine-2,6-dione;8-[(3S)-3-aminopyrrolidin-1-yl]-7-[(2-iodophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 157165885
2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile;2,2,2-trifluoroacetic acid
CID 16658243
2-[[3-[(4-amino-2,3-dihydrothiophen-5-yl)methyl]-6-[(3R)-3-aminopiperidin-1-yl]-2,4-dioxopyrimidin-1-yl]methyl]benzonitrile
CID 70849791
3-[(3R)-3-aminopiperidin-1-yl]-2H-isoquinolin-1-one
CID 102986196
7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-isocyanophenyl)methyl]-5-methyl-3H-imidazo[4,5-b]pyridin-2-one;methane
CID 158433617
methyl 2-[[4-[(3R)-3-aminopiperidin-1-yl]-3-but-2-ynyl-2,6-dioxopyrimidin-1-yl]methyl]benzoate
CID 155511987

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione (CID 11350799) is 6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione is NC1CCCN(c2cc(=O)[nH]c(=O)n2Cc2ccccc2I)C1.
What is the InChIKey of 6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is SHWTVSFPUGCFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN4O2/c17-13-6-2-1-4-11(13)9-21-15(8-14(22)19-16(21)23)20-7-3-5-12(18)10-20/h1-2,4,6,8,12H,3,5,7,9-10,18H2,(H,19,22,23).
What are the key properties of 6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione?
6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 426.26 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopiperidin-1-yl)-1-[(2-iodophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 11350799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).