N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide

C13H20N4O3 — CID 107625898

IUPACN-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2nc(OC)cc(OC)n2)CCCN1
InChIInChI=1S/C13H20N4O3/c1-4-13(6-5-7-14-13)11(18)17-12-15-9(19-2)8-10(16-12)20-3/h8,14H,4-7H2,1-3H3,(H,15,16,17,18)
InChIKeyIBGKIWULDCQBDR-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.96
Rot. Bonds5

About N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide

N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 107625898) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID107625898
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2nc(OC)cc(OC)n2)CCCN1
InChIInChI=1S/C13H20N4O3/c1-4-13(6-5-7-14-13)11(18)17-12-15-9(19-2)8-10(16-12)20-3/h8,14H,4-7H2,1-3H3,(H,15,16,17,18)
InChIKeyIBGKIWULDCQBDR-UHFFFAOYSA-N
XLogP0.96
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 83079723
2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 83072170
N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83062927
N-(4-chloro-2-methoxy-5-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080333
1-(aminomethyl)-N-(4,6-dimethoxypyrimidin-2-yl)cyclopropane-1-carboxamide
CID 107624981
N-(2,5-dimethylpyrazol-3-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83079547
N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107679774
N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080071
2-ethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrrolidine-2-carboxamide
CID 83072450
N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107467735
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83080092
2-ethyl-N-(2-methylquinolin-8-yl)pyrrolidine-2-carboxamide
CID 83063118

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide (CID 107625898) is N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)Nc2nc(OC)cc(OC)n2)CCCN1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is IBGKIWULDCQBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-4-13(6-5-7-14-13)11(18)17-12-15-9(19-2)8-10(16-12)20-3/h8,14H,4-7H2,1-3H3,(H,15,16,17,18).
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide?
N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 107625898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).