6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine

C17H28N4 — CID 80828858

IUPAC6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1N1CCCC2CCCC21
InChIInChI=1S/C17H28N4/c1-3-7-14-16(18-4-2)19-12-20-17(14)21-11-6-9-13-8-5-10-15(13)21/h12-13,15H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyVMRQGKJQNGRYET-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.63
Rot. Bonds5

About 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine (PubChem CID 80828858) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine
PubChem CID80828858
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine
SMILESCCCc1c(NCC)ncnc1N1CCCC2CCCC21
InChIInChI=1S/C17H28N4/c1-3-7-14-16(18-4-2)19-12-20-17(14)21-11-6-9-13-8-5-10-15(13)21/h12-13,15H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyVMRQGKJQNGRYET-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine with MolForge

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Related Compounds

N-ethyl-6-(2-methylpiperidin-1-yl)-5-propylpyrimidin-4-amine
CID 80767567
1-(6-chloro-5-propylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 63729949
1-[6-(ethylamino)-5-propylpyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80785994
6-(2-ethylpyrrolidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80797402
6-(2,3-dimethylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80798586
6-(2-methylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80766937
6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80792872
6-(2-ethylpyrrolidin-1-yl)-N-methyl-5-propylpyrimidin-4-amine
CID 80791469
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 82753042
[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80930838
N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767407
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine
CID 80825609

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine (CID 80828858) is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine is CCCc1c(NCC)ncnc1N1CCCC2CCCC21.
What is the InChIKey of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine?
The InChIKey is VMRQGKJQNGRYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-3-7-14-16(18-4-2)19-12-20-17(14)21-11-6-9-13-8-5-10-15(13)21/h12-13,15H,3-11H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine?
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80828858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).