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

C23H23N5O2 — CID 46889171

IUPAC2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide
SMILESCN(C)CCN(C)C(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O
InChIInChI=1S/C23H23N5O2/c1-27(2)11-12-28(3)22(30)15-9-10-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H2,24,25,26)
InChIKeyKWNQLIKVSUPVBX-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.57
Rot. Bonds5

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

2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide (PubChem CID 46889171) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide
PubChem CID46889171
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide
SMILESCN(C)CCN(C)C(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O
InChIInChI=1S/C23H23N5O2/c1-27(2)11-12-28(3)22(30)15-9-10-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H2,24,25,26)
InChIKeyKWNQLIKVSUPVBX-UHFFFAOYSA-N
XLogP2.57
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide (CID 46889171) is 2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide is CN(C)CCN(C)C(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide?
The InChIKey is KWNQLIKVSUPVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-27(2)11-12-28(3)22(30)15-9-10-16-17(13-15)20-18(21(16)29)19(25-23(24)26-20)14-7-5-4-6-8-14/h4-10,13H,11-12H2,1-3H3,(H2,24,25,26).
What are the key properties of 2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide?
2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide is sourced from PubChem (CID 46889171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).