4-[2-chloro-6-[(E)-non-3-en-3-yl]-5H-cyclopenta[d]pyrimidin-4-yl]morpholine

C20H28ClN3O — CID 166164554

IUPAC4-[2-chloro-6-[(E)-non-3-en-3-yl]-5H-cyclopenta[d]pyrimidin-4-yl]morpholine
SMILESCCCCC/C=C(\CC)C1=Cc2nc(Cl)nc(N3CCOCC3)c2C1
InChIInChI=1S/C20H28ClN3O/c1-3-5-6-7-8-15(4-2)16-13-17-18(14-16)22-20(21)23-19(17)24-9-11-25-12-10-24/h8,14H,3-7,9-13H2,1-2H3/b15-8+
InChIKeyMMIUZDDNNXGSCA-OVCLIPMQSA-N
MW361.92 g/mol
LogP4.82
Rot. Bonds7

About 4-[2-chloro-6-[(E)-non-3-en-3-yl]-5H-cyclopenta[d]pyrimidin-4-yl]morpholine

4-[2-chloro-6-[(E)-non-3-en-3-yl]-5H-cyclopenta[d]pyrimidin-4-yl]morpholine (PubChem CID 166164554) has the molecular formula C20H28ClN3O and a molecular weight of 361.92 g/mol. Its IUPAC name is 4-[2-chloro-6-[(E)-non-3-en-3-yl]-5H-cyclopenta[d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-6-[(E)-non-3-en-3-yl]-5H-cyclopenta[d]pyrimidin-4-yl]morpholine
PubChem CID166164554
Molecular FormulaC20H28ClN3O
Molecular Weight361.92 g/mol
Exact Mass361.19
IUPAC Name4-[2-chloro-6-[(E)-non-3-en-3-yl]-5H-cyclopenta[d]pyrimidin-4-yl]morpholine
SMILESCCCCC/C=C(\CC)C1=Cc2nc(Cl)nc(N3CCOCC3)c2C1
InChIInChI=1S/C20H28ClN3O/c1-3-5-6-7-8-15(4-2)16-13-17-18(14-16)22-20(21)23-19(17)24-9-11-25-12-10-24/h8,14H,3-7,9-13H2,1-2H3/b15-8+
InChIKeyMMIUZDDNNXGSCA-OVCLIPMQSA-N
XLogP4.82
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-6-[(E)-non-3-en-3-yl]-5H-cyclopenta[d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-chloro-6-[(E)-non-3-en-3-yl]-5H-cyclopenta[d]pyrimidin-4-yl]morpholine (CID 166164554) is 4-[2-chloro-6-[(E)-non-3-en-3-yl]-5H-cyclopenta[d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-6-[(E)-non-3-en-3-yl]-5H-cyclopenta[d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-chloro-6-[(E)-non-3-en-3-yl]-5H-cyclopenta[d]pyrimidin-4-yl]morpholine is CCCCC/C=C(\CC)C1=Cc2nc(Cl)nc(N3CCOCC3)c2C1.
What is the InChIKey of 4-[2-chloro-6-[(E)-non-3-en-3-yl]-5H-cyclopenta[d]pyrimidin-4-yl]morpholine?
The InChIKey is MMIUZDDNNXGSCA-OVCLIPMQSA-N. The full InChI is InChI=1S/C20H28ClN3O/c1-3-5-6-7-8-15(4-2)16-13-17-18(14-16)22-20(21)23-19(17)24-9-11-25-12-10-24/h8,14H,3-7,9-13H2,1-2H3/b15-8+.
What are the key properties of 4-[2-chloro-6-[(E)-non-3-en-3-yl]-5H-cyclopenta[d]pyrimidin-4-yl]morpholine?
4-[2-chloro-6-[(E)-non-3-en-3-yl]-5H-cyclopenta[d]pyrimidin-4-yl]morpholine has a molecular weight of 361.92 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-6-[(E)-non-3-en-3-yl]-5H-cyclopenta[d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 166164554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).