1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide

C10H13IN4O2 — CID 136794218

IUPAC1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C10H13IN4O2/c1-10(9(12)17)2-3-15(4-10)7-6(11)8(16)14-5-13-7/h5H,2-4H2,1H3,(H2,12,17)(H,13,14,16)
InChIKeyXNQGTEDZTAUQTB-UHFFFAOYSA-N
MW348.14 g/mol
LogP0.08
Rot. Bonds2

About 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide

1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 136794218) has the molecular formula C10H13IN4O2 and a molecular weight of 348.14 g/mol. Its IUPAC name is 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
PubChem CID136794218
Molecular FormulaC10H13IN4O2
Molecular Weight348.14 g/mol
Exact Mass348.01
IUPAC Name1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(c2nc[nH]c(=O)c2I)C1
InChIInChI=1S/C10H13IN4O2/c1-10(9(12)17)2-3-15(4-10)7-6(11)8(16)14-5-13-7/h5H,2-4H2,1H3,(H2,12,17)(H,13,14,16)
InChIKeyXNQGTEDZTAUQTB-UHFFFAOYSA-N
XLogP0.08
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136689236
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 136794219
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 136794220
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136794223
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794238
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843229
3-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 136843238
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 136876795
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 136876796
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 136876812
N,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136876815
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 136954396

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide (CID 136794218) is 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide is CC1(C(N)=O)CCN(c2nc[nH]c(=O)c2I)C1.
What is the InChIKey of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is XNQGTEDZTAUQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN4O2/c1-10(9(12)17)2-3-15(4-10)7-6(11)8(16)14-5-13-7/h5H,2-4H2,1H3,(H2,12,17)(H,13,14,16).
What are the key properties of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide?
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 348.14 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136794218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).