6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine

C17H28N4 — CID 80984251

IUPAC6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C17H28N4/c1-4-15-19-16(18-3)12(2)17(20-15)21-11-7-10-14(21)13-8-5-6-9-13/h13-14H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyXFPTUHICFAJUFD-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.55
Rot. Bonds4

About 6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine

6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80984251) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80984251
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(N2CCCC2C2CCCC2)n1
InChIInChI=1S/C17H28N4/c1-4-15-19-16(18-3)12(2)17(20-15)21-11-7-10-14(21)13-8-5-6-9-13/h13-14H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyXFPTUHICFAJUFD-UHFFFAOYSA-N
XLogP3.55
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
CID 102729117
2-ethyl-N,5-dimethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80981348
6-(2,3-dimethylpiperidin-1-yl)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80982926
1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-ol
CID 80993142
6-(2,5-dimethylpiperidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80991992
N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80985513
6-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80993261
[1-[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80987896
6-(3,4-dimethylpiperazin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80984292
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942504
2-ethyl-N,5-dimethyl-6-piperazin-1-ylpyrimidin-4-amine
CID 80983428
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,5-dichloro-N-methylpyridin-2-amine
CID 102760209

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine (CID 80984251) is 6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(NC)c(C)c(N2CCCC2C2CCCC2)n1.
What is the InChIKey of 6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is XFPTUHICFAJUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-4-15-19-16(18-3)12(2)17(20-15)21-11-7-10-14(21)13-8-5-6-9-13/h13-14H,4-11H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine?
6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 3.55, 4 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)-2-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80984251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).