2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H33N5 — CID 59670431

IUPAC2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCCCN1CCc2nc(N3CCN(C4CCC4)CC3)ncc2C1
InChIInChI=1S/C20H33N5/c1-2-3-4-9-23-10-8-19-17(16-23)15-21-20(22-19)25-13-11-24(12-14-25)18-6-5-7-18/h15,18H,2-14,16H2,1H3
InChIKeyXGITUGIVUBTZDE-UHFFFAOYSA-N
MW343.52 g/mol
LogP2.70
Rot. Bonds6

About 2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 59670431) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is 2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID59670431
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC Name2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCCCCN1CCc2nc(N3CCN(C4CCC4)CC3)ncc2C1
InChIInChI=1S/C20H33N5/c1-2-3-4-9-23-10-8-19-17(16-23)15-21-20(22-19)25-13-11-24(12-14-25)18-6-5-7-18/h15,18H,2-14,16H2,1H3
InChIKeyXGITUGIVUBTZDE-UHFFFAOYSA-N
XLogP2.70
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 59670431) is 2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCCCCN1CCc2nc(N3CCN(C4CCC4)CC3)ncc2C1.
What is the InChIKey of 2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is XGITUGIVUBTZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c1-2-3-4-9-23-10-8-19-17(16-23)15-21-20(22-19)25-13-11-24(12-14-25)18-6-5-7-18/h15,18H,2-14,16H2,1H3.
What are the key properties of 2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 343.52 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylpiperazin-1-yl)-6-pentyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 59670431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).