7-[6-(azepan-1-yl)hexyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine

C22H36N4O — CID 147721166

IUPAC7-[6-(azepan-1-yl)hexyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOCCc1nc(N)c2c(n1)C(CCCCCCN1CCCCCC1)=CC2
InChIInChI=1S/C22H36N4O/c1-27-17-13-20-24-21-18(11-12-19(21)22(23)25-20)10-6-2-3-7-14-26-15-8-4-5-9-16-26/h11H,2-10,12-17H2,1H3,(H2,23,24,25)
InChIKeyGWPJISPZINWREJ-UHFFFAOYSA-N
MW372.56 g/mol
LogP4.01
Rot. Bonds10

About 7-[6-(azepan-1-yl)hexyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine

7-[6-(azepan-1-yl)hexyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 147721166) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 7-[6-(azepan-1-yl)hexyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[6-(azepan-1-yl)hexyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID147721166
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name7-[6-(azepan-1-yl)hexyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCOCCc1nc(N)c2c(n1)C(CCCCCCN1CCCCCC1)=CC2
InChIInChI=1S/C22H36N4O/c1-27-17-13-20-24-21-18(11-12-19(21)22(23)25-20)10-6-2-3-7-14-26-15-8-4-5-9-16-26/h11H,2-10,12-17H2,1H3,(H2,23,24,25)
InChIKeyGWPJISPZINWREJ-UHFFFAOYSA-N
XLogP4.01
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butyl-7-[6-(4-fluoropiperidin-1-yl)hexyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 146877597
2-butyl-7-[6-[(3R)-3-fluoropyrrolidin-1-yl]hexyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 147050962
2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 149039299
2-butyl-7-[6-[(3S)-3-fluoropyrrolidin-1-yl]hexyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 157295458
2-butyl-7-[5-[(3S)-3-fluoropyrrolidin-1-yl]pentyl]-6-methyl-5H-cyclopenta[d]pyrimidin-4-amine
CID 158550881
2-butyl-7-[5-[(3R)-3-fluoropyrrolidin-1-yl]pentyl]-6-methyl-5H-cyclopenta[d]pyrimidin-4-amine
CID 158550882
2-butyl-7-[5-(4-fluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 158560900
7-[5-(4-fluoropiperidin-1-yl)pentyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine
CID 158964925
2-butyl-7-[5-(4,4-difluoropiperidin-1-yl)pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 159133572
2-butyl-7-[5-(3-fluoroazetidin-1-yl)pentyl]-6-methyl-5H-cyclopenta[d]pyrimidin-4-amine
CID 160276668
2-butyl-7-[5-(4-fluoropiperidin-1-yl)pentyl]-6-methyl-5H-cyclopenta[d]pyrimidin-4-amine
CID 160403985
2-butyl-7-[5-[(3R)-3-fluoropyrrolidin-1-yl]pentyl]-5H-cyclopenta[d]pyrimidin-4-amine
CID 160416360

Frequently Asked Questions

What is the IUPAC name of 7-[6-(azepan-1-yl)hexyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of 7-[6-(azepan-1-yl)hexyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine (CID 147721166) is 7-[6-(azepan-1-yl)hexyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for 7-[6-(azepan-1-yl)hexyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for 7-[6-(azepan-1-yl)hexyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine is COCCc1nc(N)c2c(n1)C(CCCCCCN1CCCCCC1)=CC2.
What is the InChIKey of 7-[6-(azepan-1-yl)hexyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is GWPJISPZINWREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O/c1-27-17-13-20-24-21-18(11-12-19(21)22(23)25-20)10-6-2-3-7-14-26-15-8-4-5-9-16-26/h11H,2-10,12-17H2,1H3,(H2,23,24,25).
What are the key properties of 7-[6-(azepan-1-yl)hexyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine?
7-[6-(azepan-1-yl)hexyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 372.56 g/mol, XLogP of 4.01, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(azepan-1-yl)hexyl]-2-(2-methoxyethyl)-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 147721166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).