2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol

C17H23N3O2 — CID 19389361

IUPAC2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol
SMILESCCCCCCCCOc1ccc(-c2ncc(O)cn2)cn1
InChIInChI=1S/C17H23N3O2/c1-2-3-4-5-6-7-10-22-16-9-8-14(11-18-16)17-19-12-15(21)13-20-17/h8-9,11-13,21H,2-7,10H2,1H3
InChIKeyLWCYVPMUDAKFME-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.98
Rot. Bonds9

About 2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol

2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol (PubChem CID 19389361) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol.

Molecular Properties

Compound Name2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol
PubChem CID19389361
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol
SMILESCCCCCCCCOc1ccc(-c2ncc(O)cn2)cn1
InChIInChI=1S/C17H23N3O2/c1-2-3-4-5-6-7-10-22-16-9-8-14(11-18-16)17-19-12-15(21)13-20-17/h8-9,11-13,21H,2-7,10H2,1H3
InChIKeyLWCYVPMUDAKFME-UHFFFAOYSA-N
XLogP3.98
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-decoxyphenyl)phenyl]pyrimidin-5-ol
CID 139654815
4-[5-(4-nonoxyphenyl)pyrimidin-2-yl]phenol
CID 137234830
5-(4-ethylphenyl)-2-pentoxypyridine
CID 138716515
5-(4-decyl-2,3-difluorophenyl)-2-(6-hexoxy-3-pyridinyl)pyrimidine
CID 19359112
4-[4-(5-hexoxypyrimidin-2-yl)phenyl]phenol
CID 136830873
5-[(3-butyloxiran-2-yl)methoxy]-2-(6-octoxy-3-pyridinyl)pyrimidine
CID 19389357
2-(4-hexylphenyl)pyrimidin-5-ol
CID 604041
2,5-bis(4-hexoxyphenyl)pyrimidine
CID 23167568
2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol
CID 137235231
5-heptoxy-2-(4-octoxyphenyl)pyrimidine
CID 14794369
5-decoxy-2-(6-nonyl-3-pyridinyl)pyrimidine
CID 139617180
5-octoxy-2-[4-[7-[4-[5-[7-[4-(4-octoxyphenyl)phenoxy]heptoxy]pyrimidin-2-yl]phenoxy]heptoxy]phenyl]pyrimidine
CID 132525748

Frequently Asked Questions

What is the IUPAC name of 2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol?
The IUPAC name of 2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol (CID 19389361) is 2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol.
What is the SMILES notation for 2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol?
The canonical SMILES for 2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol is CCCCCCCCOc1ccc(-c2ncc(O)cn2)cn1.
What is the InChIKey of 2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol?
The InChIKey is LWCYVPMUDAKFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-3-4-5-6-7-10-22-16-9-8-14(11-18-16)17-19-12-15(21)13-20-17/h8-9,11-13,21H,2-7,10H2,1H3.
What are the key properties of 2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol?
2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol has a molecular weight of 301.39 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-octoxy-3-pyridinyl)pyrimidin-5-ol is sourced from PubChem (CID 19389361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).