1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

C11H16BrN5O — CID 80765748

IUPAC1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCNc1ncc(Br)c(N2CCCC2C(N)=O)n1
InChIInChI=1S/C11H16BrN5O/c1-2-14-11-15-6-7(12)10(16-11)17-5-3-4-8(17)9(13)18/h6,8H,2-5H2,1H3,(H2,13,18)(H,14,15,16)
InChIKeyVOXIEJLUPNFGEG-UHFFFAOYSA-N
MW314.19 g/mol
LogP1.12
Rot. Bonds4

About 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 80765748) has the molecular formula C11H16BrN5O and a molecular weight of 314.19 g/mol. Its IUPAC name is 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID80765748
Molecular FormulaC11H16BrN5O
Molecular Weight314.19 g/mol
Exact Mass313.05
IUPAC Name1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCCNc1ncc(Br)c(N2CCCC2C(N)=O)n1
InChIInChI=1S/C11H16BrN5O/c1-2-14-11-15-6-7(12)10(16-11)17-5-3-4-8(17)9(13)18/h6,8H,2-5H2,1H3,(H2,13,18)(H,14,15,16)
InChIKeyVOXIEJLUPNFGEG-UHFFFAOYSA-N
XLogP1.12
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765390
1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765393
5-bromo-N-ethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80767151
5-bromo-4-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-2-amine
CID 80856446
5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine
CID 80837449
1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide
CID 80756566
1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 114045123
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-3-methylpiperazin-2-one
CID 80834898
5-bromo-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80766777
1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81107678
1-[2-(ethylamino)-5-fluoropyrimidin-4-yl]piperidine-4-carboxamide
CID 80754583
4-[5-bromo-2-(methylamino)pyrimidin-4-yl]-N-ethylmorpholine-3-carboxamide
CID 83105980

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 80765748) is 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide is CCNc1ncc(Br)c(N2CCCC2C(N)=O)n1.
What is the InChIKey of 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is VOXIEJLUPNFGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN5O/c1-2-14-11-15-6-7(12)10(16-11)17-5-3-4-8(17)9(13)18/h6,8H,2-5H2,1H3,(H2,13,18)(H,14,15,16).
What are the key properties of 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 314.19 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 80765748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).