4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one

C14H16N2O3 — CID 154787362

IUPAC4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(C3CCOCC3)n2)o1
InChIInChI=1S/C14H16N2O3/c1-9-2-3-12(19-9)11-8-13(17)16-14(15-11)10-4-6-18-7-5-10/h2-3,8,10H,4-7H2,1H3,(H,15,16,17)
InChIKeyNAUBSVCQJWVOKC-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.23
Rot. Bonds2

About 4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one

4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one (PubChem CID 154787362) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
PubChem CID154787362
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(C3CCOCC3)n2)o1
InChIInChI=1S/C14H16N2O3/c1-9-2-3-12(19-9)11-8-13(17)16-14(15-11)10-4-6-18-7-5-10/h2-3,8,10H,4-7H2,1H3,(H,15,16,17)
InChIKeyNAUBSVCQJWVOKC-UHFFFAOYSA-N
XLogP2.23
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one (CID 154787362) is 4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one is Cc1ccc(-c2cc(=O)[nH]c(C3CCOCC3)n2)o1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one?
The InChIKey is NAUBSVCQJWVOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-2-3-12(19-9)11-8-13(17)16-14(15-11)10-4-6-18-7-5-10/h2-3,8,10H,4-7H2,1H3,(H,15,16,17).
What are the key properties of 4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one?
4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 260.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-2-(oxan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 154787362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).