4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol

C24H29N3O — CID 139618413

IUPAC4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol
SMILESCCCCCCCCCc1ccc(-c2ncc(-c3ccc(O)cc3)cn2)nc1
InChIInChI=1S/C24H29N3O/c1-2-3-4-5-6-7-8-9-19-10-15-23(25-16-19)24-26-17-21(18-27-24)20-11-13-22(28)14-12-20/h10-18,28H,2-9H2,1H3
InChIKeyVZHNLDOZMFRIAX-UHFFFAOYSA-N
MW375.52 g/mol
LogP6.20
Rot. Bonds10

About 4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol

4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol (PubChem CID 139618413) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol.

Molecular Properties

Compound Name4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol
PubChem CID139618413
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol
SMILESCCCCCCCCCc1ccc(-c2ncc(-c3ccc(O)cc3)cn2)nc1
InChIInChI=1S/C24H29N3O/c1-2-3-4-5-6-7-8-9-19-10-15-23(25-16-19)24-26-17-21(18-27-24)20-11-13-22(28)14-12-20/h10-18,28H,2-9H2,1H3
InChIKeyVZHNLDOZMFRIAX-UHFFFAOYSA-N
XLogP6.20
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
4-[5-(4-decylphenyl)pyrimidin-2-yl]phenol
CID 135584460
4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenol
CID 137177178
5-octyl-2-[4-(5-octyl-2-pyridinyl)phenyl]pyrimidine
CID 139621541
5-decyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139626597
5-decyl-2-[4-(5-heptyl-2-pyridinyl)phenyl]pyrimidine
CID 139621535
5-heptyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139621561
5-heptyl-2-[4-(5-nonyl-2-pyridinyl)phenyl]pyrimidine
CID 139621543
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
5-decyl-2-[6-(4-pentylphenyl)-3-pyridinyl]pyrimidine
CID 139626602
2-[6-(4-heptylphenyl)-3-pyridinyl]-5-nonylpyrimidine
CID 86172683

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol?
The IUPAC name of 4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol (CID 139618413) is 4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol.
What is the SMILES notation for 4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol?
The canonical SMILES for 4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol is CCCCCCCCCc1ccc(-c2ncc(-c3ccc(O)cc3)cn2)nc1.
What is the InChIKey of 4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol?
The InChIKey is VZHNLDOZMFRIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-2-3-4-5-6-7-8-9-19-10-15-23(25-16-19)24-26-17-21(18-27-24)20-11-13-22(28)14-12-20/h10-18,28H,2-9H2,1H3.
What are the key properties of 4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol?
4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol has a molecular weight of 375.52 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-nonyl-2-pyridinyl)pyrimidin-5-yl]phenol is sourced from PubChem (CID 139618413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).