1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide

C11H15IN4O2 — CID 136954300

IUPAC1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1nc[nH]c(=O)c1I
InChIInChI=1S/C11H15IN4O2/c1-15(2)11(18)7-4-3-5-16(7)9-8(12)10(17)14-6-13-9/h6-7H,3-5H2,1-2H3,(H,13,14,17)
InChIKeyLSEHBPDVNNDKQI-UHFFFAOYSA-N
MW362.17 g/mol
LogP0.43
Rot. Bonds2

About 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 136954300) has the molecular formula C11H15IN4O2 and a molecular weight of 362.17 g/mol. Its IUPAC name is 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID136954300
Molecular FormulaC11H15IN4O2
Molecular Weight362.17 g/mol
Exact Mass362.02
IUPAC Name1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1nc[nH]c(=O)c1I
InChIInChI=1S/C11H15IN4O2/c1-15(2)11(18)7-4-3-5-16(7)9-8(12)10(17)14-6-13-9/h6-7H,3-5H2,1-2H3,(H,13,14,17)
InChIKeyLSEHBPDVNNDKQI-UHFFFAOYSA-N
XLogP0.43
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731506
5-iodo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780971
5-iodo-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780978
4-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136780985
5-iodo-4-[propyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780993
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136781012
5-iodo-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781022
5-iodo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864279
4-[(1-ethylpyrrolidin-2-yl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956010
5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956537
5-iodo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956744
5-iodo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956819

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 136954300) is 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1nc[nH]c(=O)c1I.
What is the InChIKey of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is LSEHBPDVNNDKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN4O2/c1-15(2)11(18)7-4-3-5-16(7)9-8(12)10(17)14-6-13-9/h6-7H,3-5H2,1-2H3,(H,13,14,17).
What are the key properties of 1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 362.17 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 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)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 136954300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).