[4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol

C15H20N6OS — CID 143284375

IUPAC[4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol
SMILESCSNC(C)(C)Cn1c(CO)nc2c(N)nc3cccnc3c21
InChIInChI=1S/C15H20N6OS/c1-15(2,20-23-3)8-21-10(7-22)19-12-13(21)11-9(18-14(12)16)5-4-6-17-11/h4-6,20,22H,7-8H2,1-3H3,(H2,16,18)
InChIKeyZDXHLTZGSQNYSD-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.70
Rot. Bonds5

About [4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol

[4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol (PubChem CID 143284375) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is [4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol.

Molecular Properties

Compound Name[4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol
PubChem CID143284375
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name[4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol
SMILESCSNC(C)(C)Cn1c(CO)nc2c(N)nc3cccnc3c21
InChIInChI=1S/C15H20N6OS/c1-15(2,20-23-3)8-21-10(7-22)19-12-13(21)11-9(18-14(12)16)5-4-6-17-11/h4-6,20,22H,7-8H2,1-3H3,(H2,16,18)
InChIKeyZDXHLTZGSQNYSD-UHFFFAOYSA-N
XLogP1.70
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]methyl acetate
CID 68940335
1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol
CID 143292286
1-[4-amino-2-[(cyclopenten-1-ylamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
CID 91308676
1-[4-amino-2-[(cyclohexylideneamino)oxymethyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
CID 143051742
N-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]acetamide
CID 20628617
1-(2-aminoethyl)-2-(methoxymethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 68936410
2-ethyl-1-[4-(methylamino)butyl]imidazo[4,5-c][1,5]naphthyridin-4-amine
CID 155067176
1-[4-amino-7-(3,4-difluorophenyl)-2-(hydroxymethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]-2-methylpropan-2-ol
CID 58970701
2-[4-amino-1-(2-fluoro-2-methylpropyl)imidazo[4,5-c][1,5]naphthyridin-2-yl]propanoic acid
CID 91268307
tert-butyl N-[2-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172751
1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea
CID 10001667
1-(2-aminoethyl)-2-(2-methoxyethyl)imidazo[4,5-c][1,5]naphthyridin-4-amine;hydrochloride
CID 68933255

Frequently Asked Questions

What is the IUPAC name of [4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol?
The IUPAC name of [4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol (CID 143284375) is [4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol.
What is the SMILES notation for [4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol?
The canonical SMILES for [4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol is CSNC(C)(C)Cn1c(CO)nc2c(N)nc3cccnc3c21.
What is the InChIKey of [4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol?
The InChIKey is ZDXHLTZGSQNYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-15(2,20-23-3)8-21-10(7-22)19-12-13(21)11-9(18-14(12)16)5-4-6-17-11/h4-6,20,22H,7-8H2,1-3H3,(H2,16,18).
What are the key properties of [4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol?
[4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol has a molecular weight of 332.43 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-1-[2-methyl-2-(methylsulfanylamino)propyl]imidazo[4,5-c][1,5]naphthyridin-2-yl]methanol is sourced from PubChem (CID 143284375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).