8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one

C14H10F2N4O — CID 168887613

IUPAC8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(F)cc3F)ncnc2c(=O)n1C
InChIInChI=1S/C14H10F2N4O/c1-7-19-12-11(9-4-3-8(15)5-10(9)16)17-6-18-13(12)14(21)20(7)2/h3-6H,1-2H3
InChIKeyQKLFBMNJHQPFOX-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.98
Rot. Bonds1

About 8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one

8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one (PubChem CID 168887613) has the molecular formula C14H10F2N4O and a molecular weight of 288.26 g/mol. Its IUPAC name is 8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
PubChem CID168887613
Molecular FormulaC14H10F2N4O
Molecular Weight288.26 g/mol
Exact Mass288.08
IUPAC Name8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(F)cc3F)ncnc2c(=O)n1C
InChIInChI=1S/C14H10F2N4O/c1-7-19-12-11(9-4-3-8(15)5-10(9)16)17-6-18-13(12)14(21)20(7)2/h3-6H,1-2H3
InChIKeyQKLFBMNJHQPFOX-UHFFFAOYSA-N
XLogP1.98
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one?
The IUPAC name of 8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one (CID 168887613) is 8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one?
The canonical SMILES for 8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one is Cc1nc2c(-c3ccc(F)cc3F)ncnc2c(=O)n1C.
What is the InChIKey of 8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one?
The InChIKey is QKLFBMNJHQPFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O/c1-7-19-12-11(9-4-3-8(15)5-10(9)16)17-6-18-13(12)14(21)20(7)2/h3-6H,1-2H3.
What are the key properties of 8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one?
8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one has a molecular weight of 288.26 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 168887613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).