7-amino-5-(2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile

C15H11FN4O2 — CID 2844683

IUPAC7-amino-5-(2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESCc1nc2c(c(=O)[nH]1)C(c1ccccc1F)C(C#N)=C(N)O2
InChIInChI=1S/C15H11FN4O2/c1-7-19-14(21)12-11(8-4-2-3-5-10(8)16)9(6-17)13(18)22-15(12)20-7/h2-5,11H,18H2,1H3,(H,19,20,21)
InChIKeyQLMGBRFLOCYLFD-UHFFFAOYSA-N
MW298.28 g/mol
LogP1.44
Rot. Bonds1

About 7-amino-5-(2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile

7-amino-5-(2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 2844683) has the molecular formula C15H11FN4O2 and a molecular weight of 298.28 g/mol. Its IUPAC name is 7-amino-5-(2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
PubChem CID2844683
Molecular FormulaC15H11FN4O2
Molecular Weight298.28 g/mol
Exact Mass298.09
IUPAC Name7-amino-5-(2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile
SMILESCc1nc2c(c(=O)[nH]1)C(c1ccccc1F)C(C#N)=C(N)O2
InChIInChI=1S/C15H11FN4O2/c1-7-19-14(21)12-11(8-4-2-3-5-10(8)16)9(6-17)13(18)22-15(12)20-7/h2-5,11H,18H2,1H3,(H,19,20,21)
InChIKeyQLMGBRFLOCYLFD-UHFFFAOYSA-N
XLogP1.44
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile (CID 2844683) is 7-amino-5-(2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is Cc1nc2c(c(=O)[nH]1)C(c1ccccc1F)C(C#N)=C(N)O2.
What is the InChIKey of 7-amino-5-(2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is QLMGBRFLOCYLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O2/c1-7-19-14(21)12-11(8-4-2-3-5-10(8)16)9(6-17)13(18)22-15(12)20-7/h2-5,11H,18H2,1H3,(H,19,20,21).
What are the key properties of 7-amino-5-(2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile?
7-amino-5-(2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 298.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(2-fluorophenyl)-2-methyl-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 2844683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).