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

C24H25N5O2 — CID 46889173

IUPAC2-amino-N-[2-(diethylamino)ethyl]-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O
InChIInChI=1S/C24H25N5O2/c1-3-29(4-2)13-12-26-23(31)16-10-11-17-18(14-16)21-19(22(17)30)20(27-24(25)28-21)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,26,31)(H2,25,27,28)
InChIKeyWJGBYZBWLQKBTQ-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.01
Rot. Bonds7

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

2-amino-N-[2-(diethylamino)ethyl]-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide (PubChem CID 46889173) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-amino-N-[2-(diethylamino)ethyl]-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(diethylamino)ethyl]-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide
PubChem CID46889173
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-amino-N-[2-(diethylamino)ethyl]-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O
InChIInChI=1S/C24H25N5O2/c1-3-29(4-2)13-12-26-23(31)16-10-11-17-18(14-16)21-19(22(17)30)20(27-24(25)28-21)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,26,31)(H2,25,27,28)
InChIKeyWJGBYZBWLQKBTQ-UHFFFAOYSA-N
XLogP3.01
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(diethylamino)ethyl]-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide?
The IUPAC name of 2-amino-N-[2-(diethylamino)ethyl]-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide (CID 46889173) is 2-amino-N-[2-(diethylamino)ethyl]-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(diethylamino)ethyl]-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide?
The canonical SMILES for 2-amino-N-[2-(diethylamino)ethyl]-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide is CCN(CC)CCNC(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O.
What is the InChIKey of 2-amino-N-[2-(diethylamino)ethyl]-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide?
The InChIKey is WJGBYZBWLQKBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-3-29(4-2)13-12-26-23(31)16-10-11-17-18(14-16)21-19(22(17)30)20(27-24(25)28-21)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,26,31)(H2,25,27,28).
What are the key properties of 2-amino-N-[2-(diethylamino)ethyl]-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide?
2-amino-N-[2-(diethylamino)ethyl]-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(diethylamino)ethyl]-5-oxo-4-phenylindeno[1,2-d]pyrimidine-8-carboxamide is sourced from PubChem (CID 46889173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).