2-amino-4-phenyl-8-(piperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one

C22H19N5O2 — CID 46889207

IUPAC2-amino-4-phenyl-8-(piperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(C(=O)N3CCNCC3)ccc1C2=O
InChIInChI=1S/C22H19N5O2/c23-22-25-18(13-4-2-1-3-5-13)17-19(26-22)16-12-14(6-7-15(16)20(17)28)21(29)27-10-8-24-9-11-27/h1-7,12,24H,8-11H2,(H2,23,25,26)
InChIKeyHIPQFJMNAUZMJG-UHFFFAOYSA-N
MW385.43 g/mol
LogP1.98
Rot. Bonds2

About 2-amino-4-phenyl-8-(piperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one

2-amino-4-phenyl-8-(piperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 46889207) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-amino-4-phenyl-8-(piperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-phenyl-8-(piperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID46889207
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name2-amino-4-phenyl-8-(piperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(C(=O)N3CCNCC3)ccc1C2=O
InChIInChI=1S/C22H19N5O2/c23-22-25-18(13-4-2-1-3-5-13)17-19(26-22)16-12-14(6-7-15(16)20(17)28)21(29)27-10-8-24-9-11-27/h1-7,12,24H,8-11H2,(H2,23,25,26)
InChIKeyHIPQFJMNAUZMJG-UHFFFAOYSA-N
XLogP1.98
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-8-(piperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-phenyl-8-(piperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one (CID 46889207) is 2-amino-4-phenyl-8-(piperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-phenyl-8-(piperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-phenyl-8-(piperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccccc2)c2c(n1)-c1cc(C(=O)N3CCNCC3)ccc1C2=O.
What is the InChIKey of 2-amino-4-phenyl-8-(piperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is HIPQFJMNAUZMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c23-22-25-18(13-4-2-1-3-5-13)17-19(26-22)16-12-14(6-7-15(16)20(17)28)21(29)27-10-8-24-9-11-27/h1-7,12,24H,8-11H2,(H2,23,25,26).
What are the key properties of 2-amino-4-phenyl-8-(piperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-phenyl-8-(piperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 385.43 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-8-(piperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46889207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).