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

C17H26N8O — CID 19358885

IUPAC2-[2-(diethylamino)ethylamino]-9-ethyl-4-(methylamino)-5H-imidazo[5,1-h]pteridin-6-one
SMILESCCc1ncc2c(=O)[nH]c3c(NC)nc(NCCN(CC)CC)nc3n12
InChIInChI=1S/C17H26N8O/c1-5-12-20-10-11-16(26)21-13-14(18-4)22-17(23-15(13)25(11)12)19-8-9-24(6-2)7-3/h10H,5-9H2,1-4H3,(H,21,26)(H2,18,19,22,23)
InChIKeyFQPGWAXWWAJKHZ-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.32
Rot. Bonds8

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

2-[2-(diethylamino)ethylamino]-9-ethyl-4-(methylamino)-5H-imidazo[5,1-h]pteridin-6-one (PubChem CID 19358885) has the molecular formula C17H26N8O and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-9-ethyl-4-(methylamino)-5H-imidazo[5,1-h]pteridin-6-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-9-ethyl-4-(methylamino)-5H-imidazo[5,1-h]pteridin-6-one
PubChem CID19358885
Molecular FormulaC17H26N8O
Molecular Weight358.45 g/mol
Exact Mass358.22
IUPAC Name2-[2-(diethylamino)ethylamino]-9-ethyl-4-(methylamino)-5H-imidazo[5,1-h]pteridin-6-one
SMILESCCc1ncc2c(=O)[nH]c3c(NC)nc(NCCN(CC)CC)nc3n12
InChIInChI=1S/C17H26N8O/c1-5-12-20-10-11-16(26)21-13-14(18-4)22-17(23-15(13)25(11)12)19-8-9-24(6-2)7-3/h10H,5-9H2,1-4H3,(H,21,26)(H2,18,19,22,23)
InChIKeyFQPGWAXWWAJKHZ-UHFFFAOYSA-N
XLogP1.32
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-(diethylamino)ethylamino]-9-ethyl-7-methyl-5H-imidazo[5,1-h]pteridin-6-one
CID 19358863
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-7H-purine-2,6-diamine
CID 114783663
4-N-[2-(diethylamino)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80770786
2-[2-(diethylamino)ethylamino]-6-phenyl-8H-pteridin-7-one
CID 70165143
4-N-[2-(diethylamino)ethyl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80769927
4-N-(4-chlorophenyl)-6-N-[2-(diethylamino)ethyl]-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795161
6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 143765775
9-[5-(azepan-1-yl)pentyl]-2-(butylamino)-6-(methylamino)-7H-purin-8-one
CID 135129760
2-N-[2-(diethylamino)ethyl]-4-N-(2,5-dimethylphenyl)pteridine-2,4-diamine
CID 16910992
6-chloro-2-N-[2-(diethylamino)ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80769439
4-N-[2-(diethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933514
2-N-[2-(diethylamino)ethyl]-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80931722

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-9-ethyl-4-(methylamino)-5H-imidazo[5,1-h]pteridin-6-one?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-9-ethyl-4-(methylamino)-5H-imidazo[5,1-h]pteridin-6-one (CID 19358885) is 2-[2-(diethylamino)ethylamino]-9-ethyl-4-(methylamino)-5H-imidazo[5,1-h]pteridin-6-one.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-9-ethyl-4-(methylamino)-5H-imidazo[5,1-h]pteridin-6-one?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-9-ethyl-4-(methylamino)-5H-imidazo[5,1-h]pteridin-6-one is CCc1ncc2c(=O)[nH]c3c(NC)nc(NCCN(CC)CC)nc3n12.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-9-ethyl-4-(methylamino)-5H-imidazo[5,1-h]pteridin-6-one?
The InChIKey is FQPGWAXWWAJKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O/c1-5-12-20-10-11-16(26)21-13-14(18-4)22-17(23-15(13)25(11)12)19-8-9-24(6-2)7-3/h10H,5-9H2,1-4H3,(H,21,26)(H2,18,19,22,23).
What are the key properties of 2-[2-(diethylamino)ethylamino]-9-ethyl-4-(methylamino)-5H-imidazo[5,1-h]pteridin-6-one?
2-[2-(diethylamino)ethylamino]-9-ethyl-4-(methylamino)-5H-imidazo[5,1-h]pteridin-6-one has a molecular weight of 358.45 g/mol, XLogP of 1.32, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-9-ethyl-4-(methylamino)-5H-imidazo[5,1-h]pteridin-6-one is sourced from PubChem (CID 19358885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).