2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide

C25H27N5O2 — CID 46889172

IUPAC2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide
SMILESCCN(CC)CCN(C)C(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O
InChIInChI=1S/C25H27N5O2/c1-4-30(5-2)14-13-29(3)24(32)17-11-12-18-19(15-17)22-20(23(18)31)21(27-25(26)28-22)16-9-7-6-8-10-16/h6-12,15H,4-5,13-14H2,1-3H3,(H2,26,27,28)
InChIKeyBAYXBWKQTLRHKB-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.35
Rot. Bonds7

About 2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide

2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide (PubChem CID 46889172) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide
PubChem CID46889172
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide
SMILESCCN(CC)CCN(C)C(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O
InChIInChI=1S/C25H27N5O2/c1-4-30(5-2)14-13-29(3)24(32)17-11-12-18-19(15-17)22-20(23(18)31)21(27-25(26)28-22)16-9-7-6-8-10-16/h6-12,15H,4-5,13-14H2,1-3H3,(H2,26,27,28)
InChIKeyBAYXBWKQTLRHKB-UHFFFAOYSA-N
XLogP3.35
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide?
The IUPAC name of 2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide (CID 46889172) is 2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide?
The canonical SMILES for 2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide is CCN(CC)CCN(C)C(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O.
What is the InChIKey of 2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide?
The InChIKey is BAYXBWKQTLRHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-4-30(5-2)14-13-29(3)24(32)17-11-12-18-19(15-17)22-20(23(18)31)21(27-25(26)28-22)16-9-7-6-8-10-16/h6-12,15H,4-5,13-14H2,1-3H3,(H2,26,27,28).
What are the key properties of 2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide?
2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(diethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide is sourced from PubChem (CID 46889172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).