2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine

C20H28N6O2 — CID 164855590

IUPAC2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine
SMILESCCCCc1nc2c(N)nnc(NCCOC)c2n1Cc1ccc(OC)cc1
InChIInChI=1S/C20H28N6O2/c1-4-5-6-16-23-17-18(20(22-11-12-27-2)25-24-19(17)21)26(16)13-14-7-9-15(28-3)10-8-14/h7-10H,4-6,11-13H2,1-3H3,(H2,21,24)(H,22,25)
InChIKeyASFCLNFDWIUHPZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.87
Rot. Bonds10

About 2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine

2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine (PubChem CID 164855590) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine.

Molecular Properties

Compound Name2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine
PubChem CID164855590
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine
SMILESCCCCc1nc2c(N)nnc(NCCOC)c2n1Cc1ccc(OC)cc1
InChIInChI=1S/C20H28N6O2/c1-4-5-6-16-23-17-18(20(22-11-12-27-2)25-24-19(17)21)26(16)13-14-7-9-15(28-3)10-8-14/h7-10H,4-6,11-13H2,1-3H3,(H2,21,24)(H,22,25)
InChIKeyASFCLNFDWIUHPZ-UHFFFAOYSA-N
XLogP2.87
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-[(4-methoxyphenyl)methyl]-7-prop-1-en-2-ylimidazo[4,5-d]pyridazin-4-amine
CID 164855663
2-butyl-3-[(4-methoxyphenyl)methyl]-4-pyrrolidin-1-ylimidazo[4,5-d]pyridazin-7-amine
CID 164855822
2-butyl-1-[(4-methoxyphenyl)methyl]-7-(3-methylbutyl)imidazo[4,5-d]pyridazin-4-amine
CID 164855591
2-butyl-3-[[4-[[2-(2-methoxyethoxy)ethylamino]methyl]phenyl]methyl]-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
CID 164855933
N-[[4-[(7-amino-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]methyl]methanesulfonamide
CID 164855828
1-[[4-(2-aminoethyl)phenyl]methyl]-2-butyl-7-[(E)-3-methylbut-1-enyl]imidazo[4,5-d]pyridazin-4-amine
CID 171575321
2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-amine
CID 3212346
2-[4-[(4,7-diamino-2-butylimidazo[4,5-d]pyridazin-3-yl)methyl]phenyl]benzoic acid
CID 54517027
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
3-[[5-(aminomethyl)-2-pyridinyl]methyl]-2-butyl-4-propan-2-yloxyimidazo[4,5-d]pyridazin-7-amine
CID 164855777
tert-butyl N-[[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]methyl]carbamate
CID 71472212
2-butyl-1-[[4-[(nonadecylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinolin-4-amine
CID 138618993

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine?
The IUPAC name of 2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine (CID 164855590) is 2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine.
What is the SMILES notation for 2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine?
The canonical SMILES for 2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine is CCCCc1nc2c(N)nnc(NCCOC)c2n1Cc1ccc(OC)cc1.
What is the InChIKey of 2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine?
The InChIKey is ASFCLNFDWIUHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-4-5-6-16-23-17-18(20(22-11-12-27-2)25-24-19(17)21)26(16)13-14-7-9-15(28-3)10-8-14/h7-10H,4-6,11-13H2,1-3H3,(H2,21,24)(H,22,25).
What are the key properties of 2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine?
2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine has a molecular weight of 384.48 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-N-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-d]pyridazine-4,7-diamine is sourced from PubChem (CID 164855590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).