2-[4-(oxan-2-yloxy)pentyl]-5-[4-(oxan-2-yloxy)phenyl]pyrimidine

C25H34N2O4 — CID 139657439

IUPAC2-[4-(oxan-2-yloxy)pentyl]-5-[4-(oxan-2-yloxy)phenyl]pyrimidine
SMILESCC(CCCc1ncc(-c2ccc(OC3CCCCO3)cc2)cn1)OC1CCCCO1
InChIInChI=1S/C25H34N2O4/c1-19(30-24-9-2-4-15-28-24)7-6-8-23-26-17-21(18-27-23)20-11-13-22(14-12-20)31-25-10-3-5-16-29-25/h11-14,17-19,24-25H,2-10,15-16H2,1H3
InChIKeyFMOPKYUMTRWIGA-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.30
Rot. Bonds9

About 2-[4-(oxan-2-yloxy)pentyl]-5-[4-(oxan-2-yloxy)phenyl]pyrimidine

2-[4-(oxan-2-yloxy)pentyl]-5-[4-(oxan-2-yloxy)phenyl]pyrimidine (PubChem CID 139657439) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-[4-(oxan-2-yloxy)pentyl]-5-[4-(oxan-2-yloxy)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[4-(oxan-2-yloxy)pentyl]-5-[4-(oxan-2-yloxy)phenyl]pyrimidine
PubChem CID139657439
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC Name2-[4-(oxan-2-yloxy)pentyl]-5-[4-(oxan-2-yloxy)phenyl]pyrimidine
SMILESCC(CCCc1ncc(-c2ccc(OC3CCCCO3)cc2)cn1)OC1CCCCO1
InChIInChI=1S/C25H34N2O4/c1-19(30-24-9-2-4-15-28-24)7-6-8-23-26-17-21(18-27-23)20-11-13-22(14-12-20)31-25-10-3-5-16-29-25/h11-14,17-19,24-25H,2-10,15-16H2,1H3
InChIKeyFMOPKYUMTRWIGA-UHFFFAOYSA-N
XLogP5.30
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[4-[5-(oxan-2-yloxy)hexyl]phenyl]phenoxy]oxane
CID 139657653
2-[4-[4-[6-(oxan-2-yloxy)heptyl]phenyl]phenoxy]oxane
CID 139657325
5-[7-(oxan-2-yloxy)octyl]-2-[4-(oxan-2-yloxy)phenyl]pyrimidine
CID 139657254
5-octoxy-2-[4-[4-(oxan-2-yloxy)pentyl]phenyl]pyrimidine
CID 139657569
2-[(2S)-5-chloropentan-2-yl]oxyoxane
CID 10750818
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
8-[4-[4-(oxan-2-yloxy)phenyl]phenyl]octan-2-yl benzoate
CID 139657287
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
(2S)-2-hept-6-en-2-yloxyoxane
CID 139755185
2-[(2S)-6-iodohexan-2-yl]oxyoxane
CID 11659617
2-[4-[4-[4-(2-ethoxyethoxy)butyl]phenyl]phenoxy]oxane
CID 139657244
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-2-yloxy)pentyl]-5-[4-(oxan-2-yloxy)phenyl]pyrimidine?
The IUPAC name of 2-[4-(oxan-2-yloxy)pentyl]-5-[4-(oxan-2-yloxy)phenyl]pyrimidine (CID 139657439) is 2-[4-(oxan-2-yloxy)pentyl]-5-[4-(oxan-2-yloxy)phenyl]pyrimidine.
What is the SMILES notation for 2-[4-(oxan-2-yloxy)pentyl]-5-[4-(oxan-2-yloxy)phenyl]pyrimidine?
The canonical SMILES for 2-[4-(oxan-2-yloxy)pentyl]-5-[4-(oxan-2-yloxy)phenyl]pyrimidine is CC(CCCc1ncc(-c2ccc(OC3CCCCO3)cc2)cn1)OC1CCCCO1.
What is the InChIKey of 2-[4-(oxan-2-yloxy)pentyl]-5-[4-(oxan-2-yloxy)phenyl]pyrimidine?
The InChIKey is FMOPKYUMTRWIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-19(30-24-9-2-4-15-28-24)7-6-8-23-26-17-21(18-27-23)20-11-13-22(14-12-20)31-25-10-3-5-16-29-25/h11-14,17-19,24-25H,2-10,15-16H2,1H3.
What are the key properties of 2-[4-(oxan-2-yloxy)pentyl]-5-[4-(oxan-2-yloxy)phenyl]pyrimidine?
2-[4-(oxan-2-yloxy)pentyl]-5-[4-(oxan-2-yloxy)phenyl]pyrimidine has a molecular weight of 426.56 g/mol, XLogP of 5.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-2-yloxy)pentyl]-5-[4-(oxan-2-yloxy)phenyl]pyrimidine is sourced from PubChem (CID 139657439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).