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

C16H26N4 — CID 80843361

IUPAC6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCCC3CCCC32)nc(C)n1
InChIInChI=1S/C16H26N4/c1-3-9-17-15-11-16(19-12(2)18-15)20-10-5-7-13-6-4-8-14(13)20/h11,13-14H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyGANVINRZLZPYHF-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.38
Rot. Bonds4

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

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine (PubChem CID 80843361) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
PubChem CID80843361
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCCC3CCCC32)nc(C)n1
InChIInChI=1S/C16H26N4/c1-3-9-17-15-11-16(19-12(2)18-15)20-10-5-7-13-6-4-8-14(13)20/h11,13-14H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyGANVINRZLZPYHF-UHFFFAOYSA-N
XLogP3.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 80775506
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-propylpyrazin-2-amine
CID 80842469
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942504
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-N-propylpyridin-2-amine
CID 82752594
6-(3-methoxypiperidin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 102971485
2-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80933803
6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80791344
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-propylpyrimidin-4-amine
CID 80812889
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-N-propylpyrimidine-2,4-diamine
CID 115563060
2-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 80766705
6-(3,4-dimethoxypyrrolidin-1-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 103541915
N-[6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112870575

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine (CID 80843361) is 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(N2CCCC3CCCC32)nc(C)n1.
What is the InChIKey of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine?
The InChIKey is GANVINRZLZPYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-9-17-15-11-16(19-12(2)18-15)20-10-5-7-13-6-4-8-14(13)20/h11,13-14H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of 6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine?
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methyl-N-propylpyrimidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 3.38, 4 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)-2-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80843361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).