4-(oxan-4-yloxy)-6-(3-pyrazin-2-yloxyphenoxy)pyrimidine

C19H18N4O4 — CID 166271203

IUPAC4-(oxan-4-yloxy)-6-(3-pyrazin-2-yloxyphenoxy)pyrimidine
SMILESc1cc(Oc2cnccn2)cc(Oc2cc(OC3CCOCC3)ncn2)c1
InChIInChI=1S/C19H18N4O4/c1-2-15(10-16(3-1)27-19-12-20-6-7-21-19)26-18-11-17(22-13-23-18)25-14-4-8-24-9-5-14/h1-3,6-7,10-14H,4-5,8-9H2
InChIKeyJBRGSJLAIXOALY-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.41
Rot. Bonds6

About 4-(oxan-4-yloxy)-6-(3-pyrazin-2-yloxyphenoxy)pyrimidine

4-(oxan-4-yloxy)-6-(3-pyrazin-2-yloxyphenoxy)pyrimidine (PubChem CID 166271203) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-(oxan-4-yloxy)-6-(3-pyrazin-2-yloxyphenoxy)pyrimidine.

Molecular Properties

Compound Name4-(oxan-4-yloxy)-6-(3-pyrazin-2-yloxyphenoxy)pyrimidine
PubChem CID166271203
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name4-(oxan-4-yloxy)-6-(3-pyrazin-2-yloxyphenoxy)pyrimidine
SMILESc1cc(Oc2cnccn2)cc(Oc2cc(OC3CCOCC3)ncn2)c1
InChIInChI=1S/C19H18N4O4/c1-2-15(10-16(3-1)27-19-12-20-6-7-21-19)26-18-11-17(22-13-23-18)25-14-4-8-24-9-5-14/h1-3,6-7,10-14H,4-5,8-9H2
InChIKeyJBRGSJLAIXOALY-UHFFFAOYSA-N
XLogP3.41
TPSA88.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yloxy)-6-(3-pyrazin-2-yloxyphenoxy)pyrimidine?
The IUPAC name of 4-(oxan-4-yloxy)-6-(3-pyrazin-2-yloxyphenoxy)pyrimidine (CID 166271203) is 4-(oxan-4-yloxy)-6-(3-pyrazin-2-yloxyphenoxy)pyrimidine.
What is the SMILES notation for 4-(oxan-4-yloxy)-6-(3-pyrazin-2-yloxyphenoxy)pyrimidine?
The canonical SMILES for 4-(oxan-4-yloxy)-6-(3-pyrazin-2-yloxyphenoxy)pyrimidine is c1cc(Oc2cnccn2)cc(Oc2cc(OC3CCOCC3)ncn2)c1.
What is the InChIKey of 4-(oxan-4-yloxy)-6-(3-pyrazin-2-yloxyphenoxy)pyrimidine?
The InChIKey is JBRGSJLAIXOALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-2-15(10-16(3-1)27-19-12-20-6-7-21-19)26-18-11-17(22-13-23-18)25-14-4-8-24-9-5-14/h1-3,6-7,10-14H,4-5,8-9H2.
What are the key properties of 4-(oxan-4-yloxy)-6-(3-pyrazin-2-yloxyphenoxy)pyrimidine?
4-(oxan-4-yloxy)-6-(3-pyrazin-2-yloxyphenoxy)pyrimidine has a molecular weight of 366.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yloxy)-6-(3-pyrazin-2-yloxyphenoxy)pyrimidine is sourced from PubChem (CID 166271203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).