4-propyl-7-pyrimidin-2-yloxychromen-2-one

C16H14N2O3 — CID 2099264

IUPAC4-propyl-7-pyrimidin-2-yloxychromen-2-one
SMILESCCCc1cc(=O)oc2cc(Oc3ncccn3)ccc12
InChIInChI=1S/C16H14N2O3/c1-2-4-11-9-15(19)21-14-10-12(5-6-13(11)14)20-16-17-7-3-8-18-16/h3,5-10H,2,4H2,1H3
InChIKeyGRFBJZZIPZJIGD-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.33
Rot. Bonds4

About 4-propyl-7-pyrimidin-2-yloxychromen-2-one

4-propyl-7-pyrimidin-2-yloxychromen-2-one (PubChem CID 2099264) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-propyl-7-pyrimidin-2-yloxychromen-2-one.

Molecular Properties

Compound Name4-propyl-7-pyrimidin-2-yloxychromen-2-one
PubChem CID2099264
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-propyl-7-pyrimidin-2-yloxychromen-2-one
SMILESCCCc1cc(=O)oc2cc(Oc3ncccn3)ccc12
InChIInChI=1S/C16H14N2O3/c1-2-4-11-9-15(19)21-14-10-12(5-6-13(11)14)20-16-17-7-3-8-18-16/h3,5-10H,2,4H2,1H3
InChIKeyGRFBJZZIPZJIGD-UHFFFAOYSA-N
XLogP3.33
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-7-pyrimidin-2-yloxychromen-2-one?
The IUPAC name of 4-propyl-7-pyrimidin-2-yloxychromen-2-one (CID 2099264) is 4-propyl-7-pyrimidin-2-yloxychromen-2-one.
What is the SMILES notation for 4-propyl-7-pyrimidin-2-yloxychromen-2-one?
The canonical SMILES for 4-propyl-7-pyrimidin-2-yloxychromen-2-one is CCCc1cc(=O)oc2cc(Oc3ncccn3)ccc12.
What is the InChIKey of 4-propyl-7-pyrimidin-2-yloxychromen-2-one?
The InChIKey is GRFBJZZIPZJIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-2-4-11-9-15(19)21-14-10-12(5-6-13(11)14)20-16-17-7-3-8-18-16/h3,5-10H,2,4H2,1H3.
What are the key properties of 4-propyl-7-pyrimidin-2-yloxychromen-2-one?
4-propyl-7-pyrimidin-2-yloxychromen-2-one has a molecular weight of 282.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-7-pyrimidin-2-yloxychromen-2-one is sourced from PubChem (CID 2099264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).