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

C23H21N5O2 — CID 25242440

IUPAC2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESCN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1
InChIInChI=1S/C23H21N5O2/c1-27-9-11-28(12-10-27)22(30)15-7-8-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,24,25,26)
InChIKeyWEDKBAZTBXZYBK-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.32
Rot. Bonds2

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

2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one (PubChem CID 25242440) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one
PubChem CID25242440
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one
SMILESCN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1
InChIInChI=1S/C23H21N5O2/c1-27-9-11-28(12-10-27)22(30)15-7-8-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,24,25,26)
InChIKeyWEDKBAZTBXZYBK-UHFFFAOYSA-N
XLogP2.32
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.32
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-methylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one (CID 25242440) is 2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one is CN1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1.
What is the InChIKey of 2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one?
The InChIKey is WEDKBAZTBXZYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-27-9-11-28(12-10-27)22(30)15-7-8-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H2,24,25,26).
What are the key properties of 2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one?
2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one has a molecular weight of 399.45 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-(4-methylpiperazine-1-carbonyl)-4-phenylindeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 25242440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).