5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine

C27H43N3 — CID 139623761

IUPAC5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine
SMILESCCCCCCCCCc1cnc(-c2ccc(CCCCCCCCC)nc2)nc1
InChIInChI=1S/C27H43N3/c1-3-5-7-9-11-13-15-17-24-21-29-27(30-22-24)25-19-20-26(28-23-25)18-16-14-12-10-8-6-4-2/h19-23H,3-18H2,1-2H3
InChIKeyCZVAZKATJMNJBS-UHFFFAOYSA-N
MW409.66 g/mol
LogP8.12
Rot. Bonds17

About 5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine

5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine (PubChem CID 139623761) has the molecular formula C27H43N3 and a molecular weight of 409.66 g/mol. Its IUPAC name is 5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine
PubChem CID139623761
Molecular FormulaC27H43N3
Molecular Weight409.66 g/mol
Exact Mass409.35
IUPAC Name5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine
SMILESCCCCCCCCCc1cnc(-c2ccc(CCCCCCCCC)nc2)nc1
InChIInChI=1S/C27H43N3/c1-3-5-7-9-11-13-15-17-24-21-29-27(30-22-24)25-19-20-26(28-23-25)18-16-14-12-10-8-6-4-2/h19-23H,3-18H2,1-2H3
InChIKeyCZVAZKATJMNJBS-UHFFFAOYSA-N
XLogP8.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.66
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-5-(4-pentylphenyl)pyridine
CID 86160726
5-decoxy-2-(6-nonyl-3-pyridinyl)pyrimidine
CID 139617180
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450
5-heptyl-2-(4-tridecylphenyl)pyrimidine
CID 139803426
2-(4-decylphenyl)-5-pentadecylpyrimidine
CID 139803474
5-octyl-2-(4-octylphenyl)pyrimidine
CID 18544772
2-[4-(4-hexylphenyl)phenyl]-5-octylpyrimidine
CID 14178029
5-heptyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyrimidine
CID 19992784
5-decyl-2-[6-(4-pentylphenyl)-3-pyridinyl]pyrimidine
CID 139626602

Frequently Asked Questions

What is the IUPAC name of 5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine?
The IUPAC name of 5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine (CID 139623761) is 5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine.
What is the SMILES notation for 5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine?
The canonical SMILES for 5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine is CCCCCCCCCc1cnc(-c2ccc(CCCCCCCCC)nc2)nc1.
What is the InChIKey of 5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine?
The InChIKey is CZVAZKATJMNJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3/c1-3-5-7-9-11-13-15-17-24-21-29-27(30-22-24)25-19-20-26(28-23-25)18-16-14-12-10-8-6-4-2/h19-23H,3-18H2,1-2H3.
What are the key properties of 5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine?
5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine has a molecular weight of 409.66 g/mol, XLogP of 8.12, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nonyl-2-(6-nonyl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 139623761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).