4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one

C9H13IN4O — CID 136873265

IUPAC4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
SMILESN[C@@H]1CCCN(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C9H13IN4O/c10-7-8(12-5-13-9(7)15)14-3-1-2-6(11)4-14/h5-6H,1-4,11H2,(H,12,13,15)/t6-/m1/s1
InChIKeyMVKXQXSSDGRLEC-ZCFIWIBFSA-N
MW320.13 g/mol
LogP0.30
Rot. Bonds1

About 4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one

4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one (PubChem CID 136873265) has the molecular formula C9H13IN4O and a molecular weight of 320.13 g/mol. Its IUPAC name is 4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
PubChem CID136873265
Molecular FormulaC9H13IN4O
Molecular Weight320.13 g/mol
Exact Mass320.01
IUPAC Name4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
SMILESN[C@@H]1CCCN(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C9H13IN4O/c10-7-8(12-5-13-9(7)15)14-3-1-2-6(11)4-14/h5-6H,1-4,11H2,(H,12,13,15)/t6-/m1/s1
InChIKeyMVKXQXSSDGRLEC-ZCFIWIBFSA-N
XLogP0.30
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.13
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one 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

6-(3-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one dihydrochloride
CID 139026488
4-amino-5-piperidin-1-yl-1H-pyrimidin-6-one
CID 136343863
6-(4-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136958169
4-(piperidin-3-ylamino)-1H-pyrimidin-6-one
CID 136978103
6-Amino-5-iodo-3-methyl-2-piperazin-1-ylpyrimidin-4-one
CID 175603032
5-Iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66308862
5-Iodo-6-methyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66340659
5-amino-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568287
5-amino-4-(2-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568289
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
5-amino-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 135786489

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one (CID 136873265) is 4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one is N[C@@H]1CCCN(c2nc[nH]c(=O)c2I)C1.
What is the InChIKey of 4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
The InChIKey is MVKXQXSSDGRLEC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13IN4O/c10-7-8(12-5-13-9(7)15)14-3-1-2-6(11)4-14/h5-6H,1-4,11H2,(H,12,13,15)/t6-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one?
4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one has a molecular weight of 320.13 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopiperidin-1-yl]-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136873265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).