5-(furan-3-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine

C16H22N2O3 — CID 14914579

IUPAC5-(furan-3-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncc(-c2ccoc2)c(OC(C)(C)C)n1
InChIInChI=1S/C16H22N2O3/c1-15(2,3)20-13-12(11-7-8-19-10-11)9-17-14(18-13)21-16(4,5)6/h7-10H,1-6H3
InChIKeyOFCCHLITYDZREQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.09
Rot. Bonds3

About 5-(furan-3-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine

5-(furan-3-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine (PubChem CID 14914579) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-(furan-3-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine.

Molecular Properties

Compound Name5-(furan-3-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
PubChem CID14914579
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-(furan-3-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCC(C)(C)Oc1ncc(-c2ccoc2)c(OC(C)(C)C)n1
InChIInChI=1S/C16H22N2O3/c1-15(2,3)20-13-12(11-7-8-19-10-11)9-17-14(18-13)21-16(4,5)6/h7-10H,1-6H3
InChIKeyOFCCHLITYDZREQ-UHFFFAOYSA-N
XLogP4.09
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The IUPAC name of 5-(furan-3-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine (CID 14914579) is 5-(furan-3-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine.
What is the SMILES notation for 5-(furan-3-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The canonical SMILES for 5-(furan-3-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine is CC(C)(C)Oc1ncc(-c2ccoc2)c(OC(C)(C)C)n1.
What is the InChIKey of 5-(furan-3-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The InChIKey is OFCCHLITYDZREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-15(2,3)20-13-12(11-7-8-19-10-11)9-17-14(18-13)21-16(4,5)6/h7-10H,1-6H3.
What are the key properties of 5-(furan-3-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
5-(furan-3-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine has a molecular weight of 290.36 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine is sourced from PubChem (CID 14914579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).