N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide

C13H20N4O — CID 119752791

IUPACN-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)c1ncc(NC(=O)C2CCNC2)cn1
InChIInChI=1S/C13H20N4O/c1-13(2,3)12-15-7-10(8-16-12)17-11(18)9-4-5-14-6-9/h7-9,14H,4-6H2,1-3H3,(H,17,18)
InChIKeyAIEVOTKISGWAOO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.32
Rot. Bonds2

About N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide

N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide (PubChem CID 119752791) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide
PubChem CID119752791
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide
SMILESCC(C)(C)c1ncc(NC(=O)C2CCNC2)cn1
InChIInChI=1S/C13H20N4O/c1-13(2,3)12-15-7-10(8-16-12)17-11(18)9-4-5-14-6-9/h7-9,14H,4-6H2,1-3H3,(H,17,18)
InChIKeyAIEVOTKISGWAOO-UHFFFAOYSA-N
XLogP1.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119305621
3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide
CID 119752747
N-quinolin-3-ylpyrrolidine-3-carboxamide;dihydrochloride
CID 119840923
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 146121815
9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987564
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 55150610
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 63005768
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006806
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 119704502

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide (CID 119752791) is N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide is CC(C)(C)c1ncc(NC(=O)C2CCNC2)cn1.
What is the InChIKey of N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is AIEVOTKISGWAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-13(2,3)12-15-7-10(8-16-12)17-11(18)9-4-5-14-6-9/h7-9,14H,4-6H2,1-3H3,(H,17,18).
What are the key properties of N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide?
N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119752791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).