5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one

C20H17N3O3 — CID 130442520

IUPAC5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1cc(Oc2nccc3occc23)ccc1-c1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C20H17N3O3/c1-11-10-14(26-19-16-7-9-25-17(16)6-8-21-19)4-5-15(11)18-12(2)22-20(24)23-13(18)3/h4-10H,1-3H3,(H,22,23,24)
InChIKeyUCZFULCBLVBJEH-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.30
Rot. Bonds3

About 5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one

5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one (PubChem CID 130442520) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one
PubChem CID130442520
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1cc(Oc2nccc3occc23)ccc1-c1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C20H17N3O3/c1-11-10-14(26-19-16-7-9-25-17(16)6-8-21-19)4-5-15(11)18-12(2)22-20(24)23-13(18)3/h4-10H,1-3H3,(H,22,23,24)
InChIKeyUCZFULCBLVBJEH-UHFFFAOYSA-N
XLogP4.30
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one?
The IUPAC name of 5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one (CID 130442520) is 5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one is Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)nc(=O)[nH]c1C.
What is the InChIKey of 5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one?
The InChIKey is UCZFULCBLVBJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-11-10-14(26-19-16-7-9-25-17(16)6-8-21-19)4-5-15(11)18-12(2)22-20(24)23-13(18)3/h4-10H,1-3H3,(H,22,23,24).
What are the key properties of 5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one?
5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one has a molecular weight of 347.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-furo[3,2-c]pyridin-4-yloxy-2-methylphenyl)-4,6-dimethyl-1H-pyrimidin-2-one is sourced from PubChem (CID 130442520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).