6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine

C17H28N4 — CID 80792872

IUPAC6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCC2C2CCCC2)c1C
InChIInChI=1S/C17H28N4/c1-3-10-18-16-13(2)17(20-12-19-16)21-11-6-9-15(21)14-7-4-5-8-14/h12,14-15H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyQLDBWFYKNCZBRF-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.77
Rot. Bonds5

About 6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine

6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine (PubChem CID 80792872) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
PubChem CID80792872
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCC2C2CCCC2)c1C
InChIInChI=1S/C17H28N4/c1-3-10-18-16-13(2)17(20-12-19-16)21-11-6-9-15(21)14-7-4-5-8-14/h12,14-15H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyQLDBWFYKNCZBRF-UHFFFAOYSA-N
XLogP3.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80797292
5-methyl-6-(2-methylpiperidin-1-yl)-N-propylpyrimidin-4-amine
CID 80766852
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80930838
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine
CID 80828858
N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80786025
N-ethyl-5-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767326
5-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80797289
1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 80823831
6-(2,3-dimethylpiperidin-1-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80822466
6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80797402
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-5-fluoro-N-propylpyrimidin-2-amine
CID 102729112
5-methyl-N-propyl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80810445

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine (CID 80792872) is 6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(N2CCCC2C2CCCC2)c1C.
What is the InChIKey of 6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine?
The InChIKey is QLDBWFYKNCZBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-10-18-16-13(2)17(20-12-19-16)21-11-6-9-15(21)14-7-4-5-8-14/h12,14-15H,3-11H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine?
6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80792872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).