4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine

C14H16N2O2 — CID 165349057

IUPAC4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine
SMILESCC(C)(C)Oc1ccc(Oc2ccncn2)cc1
InChIInChI=1S/C14H16N2O2/c1-14(2,3)18-12-6-4-11(5-7-12)17-13-8-9-15-10-16-13/h4-10H,1-3H3
InChIKeyAPNRMNPKJUIUIX-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.45
Rot. Bonds3

About 4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine

4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine (PubChem CID 165349057) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine.

Molecular Properties

Compound Name4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine
PubChem CID165349057
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine
SMILESCC(C)(C)Oc1ccc(Oc2ccncn2)cc1
InChIInChI=1S/C14H16N2O2/c1-14(2,3)18-12-6-4-11(5-7-12)17-13-8-9-15-10-16-13/h4-10H,1-3H3
InChIKeyAPNRMNPKJUIUIX-UHFFFAOYSA-N
XLogP3.45
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine?
The IUPAC name of 4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine (CID 165349057) is 4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine.
What is the SMILES notation for 4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine?
The canonical SMILES for 4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine is CC(C)(C)Oc1ccc(Oc2ccncn2)cc1.
What is the InChIKey of 4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine?
The InChIKey is APNRMNPKJUIUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(2,3)18-12-6-4-11(5-7-12)17-13-8-9-15-10-16-13/h4-10H,1-3H3.
What are the key properties of 4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine?
4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine has a molecular weight of 244.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]pyrimidine is sourced from PubChem (CID 165349057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).