2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one

C24H23N5O2 — CID 46889229

IUPAC2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESCCN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1
InChIInChI=1S/C24H23N5O2/c1-2-28-10-12-29(13-11-28)23(31)16-8-9-17-18(14-16)21-19(22(17)30)20(26-24(25)27-21)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H2,25,26,27)
InChIKeyPUDOIQALSBSGES-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.71
Rot. Bonds3

About 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one

2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one (PubChem CID 46889229) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one
PubChem CID46889229
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESCCN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1
InChIInChI=1S/C24H23N5O2/c1-2-28-10-12-29(13-11-28)23(31)16-8-9-17-18(14-16)21-19(22(17)30)20(26-24(25)27-21)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H2,25,26,27)
InChIKeyPUDOIQALSBSGES-UHFFFAOYSA-N
XLogP2.71
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one (CID 46889229) is 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one is CCN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1.
What is the InChIKey of 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is PUDOIQALSBSGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-2-28-10-12-29(13-11-28)23(31)16-8-9-17-18(14-16)21-19(22(17)30)20(26-24(25)27-21)15-6-4-3-5-7-15/h3-9,14H,2,10-13H2,1H3,(H2,25,26,27).
What are the key properties of 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one?
2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 413.48 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(4-ethylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46889229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).