1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

C11H15BrN4O2 — CID 136876795

IUPAC1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C11H15BrN4O2/c1-11(10(18)13-2)3-4-16(5-11)8-7(12)9(17)15-6-14-8/h6H,3-5H2,1-2H3,(H,13,18)(H,14,15,17)
InChIKeyMQVFIICZUVTYNI-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.49
Rot. Bonds2

About 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 136876795) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID136876795
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC Name1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C11H15BrN4O2/c1-11(10(18)13-2)3-4-16(5-11)8-7(12)9(17)15-6-14-8/h6H,3-5H2,1-2H3,(H,13,18)(H,14,15,17)
InChIKeyMQVFIICZUVTYNI-UHFFFAOYSA-N
XLogP0.49
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794216
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxamide
CID 136794218
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-bromo-1H-pyrimidin-6-one
CID 136794228
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 136794238
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 136843231
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 136843240
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-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 136876795) is 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2nc[nH]c(=O)c2Br)C1.
What is the InChIKey of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is MQVFIICZUVTYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c1-11(10(18)13-2)3-4-16(5-11)8-7(12)9(17)15-6-14-8/h6H,3-5H2,1-2H3,(H,13,18)(H,14,15,17).
What are the key properties of 1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 0.49, 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,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136876795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).