5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide

C10H16N4O5 — CID 123674888

IUPAC5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide
SMILESCC1(O)C(O)C(CO)OC1n1cnc(C(N)=O)c1N
InChIInChI=1S/C10H16N4O5/c1-10(18)6(16)4(2-15)19-9(10)14-3-13-5(7(14)11)8(12)17/h3-4,6,9,15-16,18H,2,11H2,1H3,(H2,12,17)
InChIKeyMNELKWFAYYZLIC-UHFFFAOYSA-N
MW272.26 g/mol
LogP-2.43
Rot. Bonds3

About 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide

5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide (PubChem CID 123674888) has the molecular formula C10H16N4O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide
PubChem CID123674888
Molecular FormulaC10H16N4O5
Molecular Weight272.26 g/mol
Exact Mass272.11
IUPAC Name5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide
SMILESCC1(O)C(O)C(CO)OC1n1cnc(C(N)=O)c1N
InChIInChI=1S/C10H16N4O5/c1-10(18)6(16)4(2-15)19-9(10)14-3-13-5(7(14)11)8(12)17/h3-4,6,9,15-16,18H,2,11H2,1H3,(H2,12,17)
InChIKeyMNELKWFAYYZLIC-UHFFFAOYSA-N
XLogP-2.43
TPSA156.85 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-2.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl](4,5-13C2,315N)imidazole-4-carboxamide
CID 139026028
2-amino-9-[(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one
CID 136641586
2-amino-9-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-6-one
CID 137141133
(2R,4S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 59998679
(2R,3S,4R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 124554369
methyl 4-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-3-oxopyrazine-2-carboxylate
CID 59563126
(2R,3S,5R)-2-(2-amino-6-methoxypurin-9-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 58455338
6-amino-9-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-1H-purin-2-one
CID 58777236
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 121487046
1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 72562978
(2R,3R,4R,5R)-2-(benzimidazol-1-yl)-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 10264771
7-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-4-(methoxyamino)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 46877143

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide (CID 123674888) is 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide is CC1(O)C(O)C(CO)OC1n1cnc(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide?
The InChIKey is MNELKWFAYYZLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5/c1-10(18)6(16)4(2-15)19-9(10)14-3-13-5(7(14)11)8(12)17/h3-4,6,9,15-16,18H,2,11H2,1H3,(H2,12,17).
What are the key properties of 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide?
5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide has a molecular weight of 272.26 g/mol, XLogP of -2.43, 3 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 123674888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).