1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide

C9H11BrN4O2 — CID 136957435

IUPAC1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H11BrN4O2/c10-6-8(12-4-13-9(6)16)14-3-1-2-5(14)7(11)15/h4-5H,1-3H2,(H2,11,15)(H,12,13,16)
InChIKeyYDKNEVZMYWMOHN-UHFFFAOYSA-N
MW287.12 g/mol
LogP-0.01
Rot. Bonds2

About 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide

1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide (PubChem CID 136957435) has the molecular formula C9H11BrN4O2 and a molecular weight of 287.12 g/mol. Its IUPAC name is 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
PubChem CID136957435
Molecular FormulaC9H11BrN4O2
Molecular Weight287.12 g/mol
Exact Mass286.01
IUPAC Name1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H11BrN4O2/c10-6-8(12-4-13-9(6)16)14-3-1-2-5(14)7(11)15/h4-5H,1-3H2,(H2,11,15)(H,12,13,16)
InChIKeyYDKNEVZMYWMOHN-UHFFFAOYSA-N
XLogP-0.01
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.12
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-[(5-oxopyrrolidin-2-yl)methyl]pyrimidin-4-one
CID 130162711
5-bromo-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672453
5-bromo-4-[(5-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136680000
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713576
5-bromo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731504
5-bromo-4-[methyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780969
5-bromo-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780976
5-bromo-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781010
5-bromo-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781020
5-bromo-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136864278
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 136954300
5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956011

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide (CID 136957435) is 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1c1nc[nH]c(=O)c1Br.
What is the InChIKey of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is YDKNEVZMYWMOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4O2/c10-6-8(12-4-13-9(6)16)14-3-1-2-5(14)7(11)15/h4-5H,1-3H2,(H2,11,15)(H,12,13,16).
What are the key properties of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide?
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 287.12 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 136957435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).