2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one

C23H21FN4O3 — CID 46888783

IUPAC2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(OCCN3CCOCC3)ccc1C2=O
InChIInChI=1S/C23H21FN4O3/c24-15-3-1-14(2-4-15)20-19-21(27-23(25)26-20)18-13-16(5-6-17(18)22(19)29)31-12-9-28-7-10-30-11-8-28/h1-6,13H,7-12H2,(H2,25,26,27)
InChIKeyPQWQKWNXFNDECT-UHFFFAOYSA-N
MW420.44 g/mol
LogP2.79
Rot. Bonds5

About 2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one

2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one (PubChem CID 46888783) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one
PubChem CID46888783
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(OCCN3CCOCC3)ccc1C2=O
InChIInChI=1S/C23H21FN4O3/c24-15-3-1-14(2-4-15)20-19-21(27-23(25)26-20)18-13-16(5-6-17(18)22(19)29)31-12-9-28-7-10-30-11-8-28/h1-6,13H,7-12H2,(H2,25,26,27)
InChIKeyPQWQKWNXFNDECT-UHFFFAOYSA-N
XLogP2.79
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one (CID 46888783) is 2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(OCCN3CCOCC3)ccc1C2=O.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is PQWQKWNXFNDECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c24-15-3-1-14(2-4-15)20-19-21(27-23(25)26-20)18-13-16(5-6-17(18)22(19)29)31-12-9-28-7-10-30-11-8-28/h1-6,13H,7-12H2,(H2,25,26,27).
What are the key properties of 2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 420.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-8-(2-morpholin-4-ylethoxy)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46888783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).