4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one

C10H12N4O4 — CID 90890538

IUPAC4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one
SMILESNc1[nH]c(=O)cc2c1ncn2C1COC(CO)O1
InChIInChI=1S/C10H12N4O4/c11-10-9-5(1-6(16)13-10)14(4-12-9)7-3-17-8(2-15)18-7/h1,4,7-8,15H,2-3H2,(H3,11,13,16)
InChIKeyRJTPZMPTMHPZKO-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.83
Rot. Bonds2

About 4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one

4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one (PubChem CID 90890538) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one.

Molecular Properties

Compound Name4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one
PubChem CID90890538
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one
SMILESNc1[nH]c(=O)cc2c1ncn2C1COC(CO)O1
InChIInChI=1S/C10H12N4O4/c11-10-9-5(1-6(16)13-10)14(4-12-9)7-3-17-8(2-15)18-7/h1,4,7-8,15H,2-3H2,(H3,11,13,16)
InChIKeyRJTPZMPTMHPZKO-UHFFFAOYSA-N
XLogP-0.83
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one with MolForge

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Related Compounds

[4-(6-amino-2-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145907
1-[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
CID 15172860
9-[(2R,4R)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-3H-purine-6-thione
CID 3000449
[4-(6-chloropurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 21145902
[(2S,4R)-4-(6-methoxypurin-9-yl)-1,3-dioxolan-2-yl]methanol
CID 10037827
[2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purin-6-yl]-cyclopropylcarbamic acid
CID 70145053
1-[[2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]purin-6-yl]amino]cyclopropane-1-carboxylic acid
CID 22986588
2-amino-9-[[2-(hydroxymethyl)-1,3-dioxolan-4-yl]oxy]-1H-purin-6-one
CID 135538741
1-[2-(methoxymethyl)-1,3-dioxolan-4-yl]-4,6-dimethylbenzimidazole
CID 58521325
5-ethynyl-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
CID 87523895
[(2S,5S)-5-(4,6-diaminoimidazo[4,5-c]pyridin-1-yl)oxolan-2-yl]methanol
CID 54315484
2-amino-9-[2-(diethoxyphosphorylmethoxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;2-amino-9-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-purin-6-one;diethoxyphosphorylmethyl 4-methylbenzenesulfonate
CID 161118163

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one?
The IUPAC name of 4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one (CID 90890538) is 4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one.
What is the SMILES notation for 4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one?
The canonical SMILES for 4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one is Nc1[nH]c(=O)cc2c1ncn2C1COC(CO)O1.
What is the InChIKey of 4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one?
The InChIKey is RJTPZMPTMHPZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O4/c11-10-9-5(1-6(16)13-10)14(4-12-9)7-3-17-8(2-15)18-7/h1,4,7-8,15H,2-3H2,(H3,11,13,16).
What are the key properties of 4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one?
4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one has a molecular weight of 252.23 g/mol, XLogP of -0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5H-imidazo[4,5-c]pyridin-6-one is sourced from PubChem (CID 90890538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).