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

C22H20N4O — CID 46863665

IUPAC2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3CCCC3)ccc1C2=O
InChIInChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25)
InChIKeyNZMLWAPHUUXPMQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.53
Rot. Bonds3

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

2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 46863665) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID46863665
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3CCCC3)ccc1C2=O
InChIInChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25)
InChIKeyNZMLWAPHUUXPMQ-UHFFFAOYSA-N
XLogP3.53
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one (CID 46863665) is 2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3CCCC3)ccc1C2=O.
What is the InChIKey of 2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is NZMLWAPHUUXPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c23-22-24-19(15-6-2-1-3-7-15)18-20(25-22)17-12-14(8-9-16(17)21(18)27)13-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13H2,(H2,23,24,25).
What are the key properties of 2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 356.43 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-8-(pyrrolidin-1-ylmethyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46863665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).