2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide

C11H16IN5O2 — CID 136956221

IUPAC2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C11H16IN5O2/c12-9-10(14-6-15-11(9)19)16-7-1-3-17(4-2-7)5-8(13)18/h6-7H,1-5H2,(H2,13,18)(H2,14,15,16,19)
InChIKeyRBVHWSICHSHEAC-UHFFFAOYSA-N
MW377.19 g/mol
LogP-0.26
Rot. Bonds4

About 2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide

2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide (PubChem CID 136956221) has the molecular formula C11H16IN5O2 and a molecular weight of 377.19 g/mol. Its IUPAC name is 2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
PubChem CID136956221
Molecular FormulaC11H16IN5O2
Molecular Weight377.19 g/mol
Exact Mass377.03
IUPAC Name2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(Nc2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C11H16IN5O2/c12-9-10(14-6-15-11(9)19)16-7-1-3-17(4-2-7)5-8(13)18/h6-7H,1-5H2,(H2,13,18)(H2,14,15,16,19)
InChIKeyRBVHWSICHSHEAC-UHFFFAOYSA-N
XLogP-0.26
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-(1-Propan-2-ylpiperidin-4-yl)-1,7-dihydropurine-6,8-dione
CID 135971554
9-Piperidin-4-yl-1,7-dihydropurine-6,8-dione
CID 136612257
5-amino-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568287
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
4-(2,4-dimethylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136726430
5-amino-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778293
5-iodo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778296
5-amino-4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805286
4-[cyclopropyl(piperidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136805290
5-amino-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805296

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide (CID 136956221) is 2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(Nc2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is RBVHWSICHSHEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN5O2/c12-9-10(14-6-15-11(9)19)16-7-1-3-17(4-2-7)5-8(13)18/h6-7H,1-5H2,(H2,13,18)(H2,14,15,16,19).
What are the key properties of 2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide?
2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 377.19 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 136956221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).