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

C10H13BrN4O2 — CID 136971075

IUPAC1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H13BrN4O2/c1-12-9(16)6-3-2-4-15(6)8-7(11)10(17)14-5-13-8/h5-6H,2-4H2,1H3,(H,12,16)(H,13,14,17)
InChIKeyZQENZQCKBBIQCR-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.25
Rot. Bonds2

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

1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 136971075) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
PubChem CID136971075
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H13BrN4O2/c1-12-9(16)6-3-2-4-15(6)8-7(11)10(17)14-5-13-8/h5-6H,2-4H2,1H3,(H,12,16)(H,13,14,17)
InChIKeyZQENZQCKBBIQCR-UHFFFAOYSA-N
XLogP0.25
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.25
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
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
4-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-bromo-1H-pyrimidin-6-one
CID 136880706
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)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide (CID 136971075) is 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1c1nc[nH]c(=O)c1Br.
What is the InChIKey of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ZQENZQCKBBIQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c1-12-9(16)6-3-2-4-15(6)8-7(11)10(17)14-5-13-8/h5-6H,2-4H2,1H3,(H,12,16)(H,13,14,17).
What are the key properties of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide?
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 301.14 g/mol, XLogP of 0.25, 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)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 136971075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).