2-[(4-fluorophenyl)methylamino]-4-methylindeno[1,2-d]pyrimidin-5-one

C19H14FN3O — CID 7342572

IUPAC2-[(4-fluorophenyl)methylamino]-4-methylindeno[1,2-d]pyrimidin-5-one
SMILESCc1nc(NCc2ccc(F)cc2)nc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C19H14FN3O/c1-11-16-17(14-4-2-3-5-15(14)18(16)24)23-19(22-11)21-10-12-6-8-13(20)9-7-12/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyYEGZXUJUZRQDRP-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.75
Rot. Bonds3

About 2-[(4-fluorophenyl)methylamino]-4-methylindeno[1,2-d]pyrimidin-5-one

2-[(4-fluorophenyl)methylamino]-4-methylindeno[1,2-d]pyrimidin-5-one (PubChem CID 7342572) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylamino]-4-methylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylamino]-4-methylindeno[1,2-d]pyrimidin-5-one
PubChem CID7342572
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name2-[(4-fluorophenyl)methylamino]-4-methylindeno[1,2-d]pyrimidin-5-one
SMILESCc1nc(NCc2ccc(F)cc2)nc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C19H14FN3O/c1-11-16-17(14-4-2-3-5-15(14)18(16)24)23-19(22-11)21-10-12-6-8-13(20)9-7-12/h2-9H,10H2,1H3,(H,21,22,23)
InChIKeyYEGZXUJUZRQDRP-UHFFFAOYSA-N
XLogP3.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylamino]-4-methylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-[(4-fluorophenyl)methylamino]-4-methylindeno[1,2-d]pyrimidin-5-one (CID 7342572) is 2-[(4-fluorophenyl)methylamino]-4-methylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methylamino]-4-methylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-[(4-fluorophenyl)methylamino]-4-methylindeno[1,2-d]pyrimidin-5-one is Cc1nc(NCc2ccc(F)cc2)nc2c1C(=O)c1ccccc1-2.
What is the InChIKey of 2-[(4-fluorophenyl)methylamino]-4-methylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is YEGZXUJUZRQDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c1-11-16-17(14-4-2-3-5-15(14)18(16)24)23-19(22-11)21-10-12-6-8-13(20)9-7-12/h2-9H,10H2,1H3,(H,21,22,23).
What are the key properties of 2-[(4-fluorophenyl)methylamino]-4-methylindeno[1,2-d]pyrimidin-5-one?
2-[(4-fluorophenyl)methylamino]-4-methylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 319.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylamino]-4-methylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 7342572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).