1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide

C13H20N4O — CID 50979976

IUPAC1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide
SMILESCCc1cnc(C)nc1N1CCC(C(=O)NC)C1
InChIInChI=1S/C13H20N4O/c1-4-10-7-15-9(2)16-12(10)17-6-5-11(8-17)13(18)14-3/h7,11H,4-6,8H2,1-3H3,(H,14,18)
InChIKeySFNWVLGCPOMRHL-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.92
Rot. Bonds3

About 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide

1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 50979976) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide
PubChem CID50979976
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide
SMILESCCc1cnc(C)nc1N1CCC(C(=O)NC)C1
InChIInChI=1S/C13H20N4O/c1-4-10-7-15-9(2)16-12(10)17-6-5-11(8-17)13(18)14-3/h7,11H,4-6,8H2,1-3H3,(H,14,18)
InChIKeySFNWVLGCPOMRHL-UHFFFAOYSA-N
XLogP0.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-amino-5-ethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 137341679
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
CID 135092676
N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 50972218
5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine
CID 95135800
(3,4-dimethoxyphenyl)-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 56861214
(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
(3R)-N-cyclopropyl-1-[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]piperidine-3-carboxamide
CID 95553973
N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 103198569
N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
[(3R,4R)-1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70779426
N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine
CID 114238187
N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80799087

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide (CID 50979976) is 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide is CCc1cnc(C)nc1N1CCC(C(=O)NC)C1.
What is the InChIKey of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is SFNWVLGCPOMRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-10-7-15-9(2)16-12(10)17-6-5-11(8-17)13(18)14-3/h7,11H,4-6,8H2,1-3H3,(H,14,18).
What are the key properties of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide?
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 50979976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).