4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one

C17H25N7O — CID 19358863

IUPAC4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one
SMILESCCc1nc(C)c2c(=O)[nH]c3c(NCCN(CC)CC)ncnc3n12
InChIInChI=1S/C17H25N7O/c1-5-12-21-11(4)14-17(25)22-13-15(18-8-9-23(6-2)7-3)19-10-20-16(13)24(12)14/h10H,5-9H2,1-4H3,(H,22,25)(H,18,19,20)
InChIKeyOIHUCHJCRYACFK-UHFFFAOYSA-N
MW343.44 g/mol
LogP1.59
Rot. Bonds7

About 4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one

4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one (PubChem CID 19358863) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one
PubChem CID19358863
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one
SMILESCCc1nc(C)c2c(=O)[nH]c3c(NCCN(CC)CC)ncnc3n12
InChIInChI=1S/C17H25N7O/c1-5-12-21-11(4)14-17(25)22-13-15(18-8-9-23(6-2)7-3)19-10-20-16(13)24(12)14/h10H,5-9H2,1-4H3,(H,22,25)(H,18,19,20)
InChIKeyOIHUCHJCRYACFK-UHFFFAOYSA-N
XLogP1.59
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one 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 4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one?
The IUPAC name of 4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one (CID 19358863) is 4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one.
What is the SMILES notation for 4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one?
The canonical SMILES for 4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one is CCc1nc(C)c2c(=O)[nH]c3c(NCCN(CC)CC)ncnc3n12.
What is the InChIKey of 4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one?
The InChIKey is OIHUCHJCRYACFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-5-12-21-11(4)14-17(25)22-13-15(18-8-9-23(6-2)7-3)19-10-20-16(13)24(12)14/h10H,5-9H2,1-4H3,(H,22,25)(H,18,19,20).
What are the key properties of 4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one?
4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one has a molecular weight of 343.44 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one is sourced from PubChem (CID 19358863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).