7-fluoro-8-(3-methylbutoxy)chromeno[2,3-d]pyrimidine-2,4-dione

C16H15FN2O4 — CID 129292783

IUPAC7-fluoro-8-(3-methylbutoxy)chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)CCOc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1F
InChIInChI=1S/C16H15FN2O4/c1-8(2)3-4-22-13-7-12-9(6-11(13)17)5-10-14(20)18-16(21)19-15(10)23-12/h5-8H,3-4H2,1-2H3,(H,18,20,21)
InChIKeyZTCZCQIBQPXXAC-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.55
Rot. Bonds4

About 7-fluoro-8-(3-methylbutoxy)chromeno[2,3-d]pyrimidine-2,4-dione

7-fluoro-8-(3-methylbutoxy)chromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 129292783) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 7-fluoro-8-(3-methylbutoxy)chromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-fluoro-8-(3-methylbutoxy)chromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID129292783
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name7-fluoro-8-(3-methylbutoxy)chromeno[2,3-d]pyrimidine-2,4-dione
SMILESCC(C)CCOc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1F
InChIInChI=1S/C16H15FN2O4/c1-8(2)3-4-22-13-7-12-9(6-11(13)17)5-10-14(20)18-16(21)19-15(10)23-12/h5-8H,3-4H2,1-2H3,(H,18,20,21)
InChIKeyZTCZCQIBQPXXAC-UHFFFAOYSA-N
XLogP2.55
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
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 7-fluoro-8-(3-methylbutoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-fluoro-8-(3-methylbutoxy)chromeno[2,3-d]pyrimidine-2,4-dione (CID 129292783) is 7-fluoro-8-(3-methylbutoxy)chromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-fluoro-8-(3-methylbutoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-fluoro-8-(3-methylbutoxy)chromeno[2,3-d]pyrimidine-2,4-dione is CC(C)CCOc1cc2oc3nc(=O)[nH]c(=O)c-3cc2cc1F.
What is the InChIKey of 7-fluoro-8-(3-methylbutoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZTCZCQIBQPXXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-8(2)3-4-22-13-7-12-9(6-11(13)17)5-10-14(20)18-16(21)19-15(10)23-12/h5-8H,3-4H2,1-2H3,(H,18,20,21).
What are the key properties of 7-fluoro-8-(3-methylbutoxy)chromeno[2,3-d]pyrimidine-2,4-dione?
7-fluoro-8-(3-methylbutoxy)chromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 318.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-(3-methylbutoxy)chromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 129292783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).