4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C17H29N3 — CID 106778698

IUPAC4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCCCCCCCCCc1ncnc2c1CNCC2
InChIInChI=1S/C17H29N3/c1-2-3-4-5-6-7-8-9-10-16-15-13-18-12-11-17(15)20-14-19-16/h14,18H,2-13H2,1H3
InChIKeyKZSYCSFBDCICSS-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.81
Rot. Bonds9

About 4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 106778698) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID106778698
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCCCCCCCCCc1ncnc2c1CNCC2
InChIInChI=1S/C17H29N3/c1-2-3-4-5-6-7-8-9-10-16-15-13-18-12-11-17(15)20-14-19-16/h14,18H,2-13H2,1H3
InChIKeyKZSYCSFBDCICSS-UHFFFAOYSA-N
XLogP3.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 106778698) is 4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCCCCCCCCCc1ncnc2c1CNCC2.
What is the InChIKey of 4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is KZSYCSFBDCICSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-2-3-4-5-6-7-8-9-10-16-15-13-18-12-11-17(15)20-14-19-16/h14,18H,2-13H2,1H3.
What are the key properties of 4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 275.44 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 106778698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).