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

C25H25N5O2 — CID 46889231

IUPAC2-amino-4-phenyl-8-(4-propan-2-ylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one
SMILESCC(C)N1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1
InChIInChI=1S/C25H25N5O2/c1-15(2)29-10-12-30(13-11-29)24(32)17-8-9-18-19(14-17)22-20(23(18)31)21(27-25(26)28-22)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,26,27,28)
InChIKeyQXJULKWSMKOTMF-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.10
Rot. Bonds3

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

2-amino-4-phenyl-8-(4-propan-2-ylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 46889231) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-amino-4-phenyl-8-(4-propan-2-ylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-phenyl-8-(4-propan-2-ylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID46889231
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name2-amino-4-phenyl-8-(4-propan-2-ylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one
SMILESCC(C)N1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1
InChIInChI=1S/C25H25N5O2/c1-15(2)29-10-12-30(13-11-29)24(32)17-8-9-18-19(14-17)22-20(23(18)31)21(27-25(26)28-22)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,26,27,28)
InChIKeyQXJULKWSMKOTMF-UHFFFAOYSA-N
XLogP3.10
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-8-(4-propan-2-ylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-phenyl-8-(4-propan-2-ylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one (CID 46889231) is 2-amino-4-phenyl-8-(4-propan-2-ylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-phenyl-8-(4-propan-2-ylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-phenyl-8-(4-propan-2-ylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one is CC(C)N1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1.
What is the InChIKey of 2-amino-4-phenyl-8-(4-propan-2-ylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is QXJULKWSMKOTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-15(2)29-10-12-30(13-11-29)24(32)17-8-9-18-19(14-17)22-20(23(18)31)21(27-25(26)28-22)16-6-4-3-5-7-16/h3-9,14-15H,10-13H2,1-2H3,(H2,26,27,28).
What are the key properties of 2-amino-4-phenyl-8-(4-propan-2-ylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-phenyl-8-(4-propan-2-ylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 427.51 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-8-(4-propan-2-ylpiperazine-1-carbonyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46889231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).