3-propylchromeno[2,3-d]pyrimidine-2,4-dione

C14H12N2O3 — CID 70676628

IUPAC3-propylchromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)nc2oc3ccccc3cc-2c1=O
InChIInChI=1S/C14H12N2O3/c1-2-7-16-13(17)10-8-9-5-3-4-6-11(9)19-12(10)15-14(16)18/h3-6,8H,2,7H2,1H3
InChIKeyJAGRBAMWVKDHKB-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.86
Rot. Bonds2

About 3-propylchromeno[2,3-d]pyrimidine-2,4-dione

3-propylchromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 70676628) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-propylchromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-propylchromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID70676628
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name3-propylchromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)nc2oc3ccccc3cc-2c1=O
InChIInChI=1S/C14H12N2O3/c1-2-7-16-13(17)10-8-9-5-3-4-6-11(9)19-12(10)15-14(16)18/h3-6,8H,2,7H2,1H3
InChIKeyJAGRBAMWVKDHKB-UHFFFAOYSA-N
XLogP1.86
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propylchromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-propylchromeno[2,3-d]pyrimidine-2,4-dione (CID 70676628) is 3-propylchromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-propylchromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-propylchromeno[2,3-d]pyrimidine-2,4-dione is CCCn1c(=O)nc2oc3ccccc3cc-2c1=O.
What is the InChIKey of 3-propylchromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JAGRBAMWVKDHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-2-7-16-13(17)10-8-9-5-3-4-6-11(9)19-12(10)15-14(16)18/h3-6,8H,2,7H2,1H3.
What are the key properties of 3-propylchromeno[2,3-d]pyrimidine-2,4-dione?
3-propylchromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 256.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylchromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 70676628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).