1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

C11H17N5O — CID 80765393

IUPAC1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCNc1ncc(C)c(N2CCCC2C(N)=O)n1
InChIInChI=1S/C11H17N5O/c1-7-6-14-11(13-2)15-10(7)16-5-3-4-8(16)9(12)17/h6,8H,3-5H2,1-2H3,(H2,12,17)(H,13,14,15)
InChIKeyHTUBXQOGDXVZOW-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.28
Rot. Bonds3

About 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide

1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 80765393) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID80765393
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCNc1ncc(C)c(N2CCCC2C(N)=O)n1
InChIInChI=1S/C11H17N5O/c1-7-6-14-11(13-2)15-10(7)16-5-3-4-8(16)9(12)17/h6,8H,3-5H2,1-2H3,(H2,12,17)(H,13,14,15)
InChIKeyHTUBXQOGDXVZOW-UHFFFAOYSA-N
XLogP0.28
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765748
1-(5-amino-3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 62477721
1-(2-hydrazinyl-5-nitropyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 114045123
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765390
N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80799087
[4-(2-cyclopentylpyrrolidin-1-yl)-5-methylpyrimidin-2-yl]hydrazine
CID 80903578
1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 63736298
1-[3-methyl-5-(propylaminomethyl)-2-pyridinyl]pyrrolidine-2-carboxamide
CID 80630801
1-[6-(methylamino)-3-nitro-2-pyridinyl]pyrrolidine-2-carboxamide
CID 80765479
1-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 80905623
1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide
CID 103332954
1-[2-(ethylamino)-5-methylpyrimidin-4-yl]piperidine-3-carboxamide
CID 80756566

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 80765393) is 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide is CNc1ncc(C)c(N2CCCC2C(N)=O)n1.
What is the InChIKey of 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is HTUBXQOGDXVZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-6-14-11(13-2)15-10(7)16-5-3-4-8(16)9(12)17/h6,8H,3-5H2,1-2H3,(H2,12,17)(H,13,14,15).
What are the key properties of 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 80765393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).