1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide

C13H19BrN4O — CID 114082384

IUPAC1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)c1nc(Br)cc(N2CCC(C(N)=O)C2)n1
InChIInChI=1S/C13H19BrN4O/c1-13(2,3)12-16-9(14)6-10(17-12)18-5-4-8(7-18)11(15)19/h6,8H,4-5,7H2,1-3H3,(H2,15,19)
InChIKeyJYTVRAQFHCALCI-UHFFFAOYSA-N
MW327.23 g/mol
LogP1.85
Rot. Bonds2

About 1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide

1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 114082384) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is 1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID114082384
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)c1nc(Br)cc(N2CCC(C(N)=O)C2)n1
InChIInChI=1S/C13H19BrN4O/c1-13(2,3)12-16-9(14)6-10(17-12)18-5-4-8(7-18)11(15)19/h6,8H,4-5,7H2,1-3H3,(H2,15,19)
InChIKeyJYTVRAQFHCALCI-UHFFFAOYSA-N
XLogP1.85
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(6-bromo-2-tert-butylpyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106836980
1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 106769882
1-(6-bromo-8-chloroquinolin-2-yl)pyrrolidine-3-carboxamide
CID 133437188
1-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 106769928
(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 122456347
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257847
4-(6-bromo-2-tert-butylpyrimidin-4-yl)-1-methyl-1,4-diazepan-2-one
CID 102891514
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 117008153
4-(6-bromo-2-tert-butylpyrimidin-4-yl)-2,2,6,6-tetramethylmorpholine
CID 102745055
[1-(6-bromo-2-tert-butylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102784178
1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 86795906

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 114082384) is 1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide is CC(C)(C)c1nc(Br)cc(N2CCC(C(N)=O)C2)n1.
What is the InChIKey of 1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is JYTVRAQFHCALCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-13(2,3)12-16-9(14)6-10(17-12)18-5-4-8(7-18)11(15)19/h6,8H,4-5,7H2,1-3H3,(H2,15,19).
What are the key properties of 1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 327.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-tert-butylpyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 114082384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).