1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

C11H16BrN5O — CID 106322468

IUPAC1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(N)ncc2Br)C1
InChIInChI=1S/C11H16BrN5O/c1-11(9(18)14-2)3-4-17(6-11)8-7(12)5-15-10(13)16-8/h5H,3-4,6H2,1-2H3,(H,14,18)(H2,13,15,16)
InChIKeyNGHQRQHVYOCWEG-UHFFFAOYSA-N
MW314.19 g/mol
LogP0.78
Rot. Bonds2

About 1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106322468) has the molecular formula C11H16BrN5O and a molecular weight of 314.19 g/mol. Its IUPAC name is 1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106322468
Molecular FormulaC11H16BrN5O
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(c2nc(N)ncc2Br)C1
InChIInChI=1S/C11H16BrN5O/c1-11(9(18)14-2)3-4-17(6-11)8-7(12)5-15-10(13)16-8/h5H,3-4,6H2,1-2H3,(H,14,18)(H2,13,15,16)
InChIKeyNGHQRQHVYOCWEG-UHFFFAOYSA-N
XLogP0.78
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-amino-5-bromo-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317398
5-amino-6-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 106321433
1-(2-aminoquinazolin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322406
1-(5-bromo-6-chloropyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106320992
N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322506
1-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106321009
1-(6-amino-2-propan-2-ylpyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322370
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322483
5-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 106318842
N,3-dimethyl-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322389
1-(3-carbamothioyl-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318499
1-[4-(aminomethyl)-3-bromophenyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317727

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106322468) is 1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(c2nc(N)ncc2Br)C1.
What is the InChIKey of 1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is NGHQRQHVYOCWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5O/c1-11(9(18)14-2)3-4-17(6-11)8-7(12)5-15-10(13)16-8/h5H,3-4,6H2,1-2H3,(H,14,18)(H2,13,15,16).
What are the key properties of 1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 314.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromopyrimidin-4-yl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106322468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).