4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one

C12H13N3O5 — CID 142604168

IUPAC4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one
SMILESCC1(C)Oc2c(CO)oc(-n3ccc(N)nc3=O)c2O1
InChIInChI=1S/C12H13N3O5/c1-12(2)19-8-6(5-16)18-10(9(8)20-12)15-4-3-7(13)14-11(15)17/h3-4,16H,5H2,1-2H3,(H2,13,14,17)
InChIKeyFWXSTJVROLOCIN-UHFFFAOYSA-N
MW279.25 g/mol
LogP0.41
Rot. Bonds2

About 4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one

4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one (PubChem CID 142604168) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is 4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one
PubChem CID142604168
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one
SMILESCC1(C)Oc2c(CO)oc(-n3ccc(N)nc3=O)c2O1
InChIInChI=1S/C12H13N3O5/c1-12(2)19-8-6(5-16)18-10(9(8)20-12)15-4-3-7(13)14-11(15)17/h3-4,16H,5H2,1-2H3,(H2,13,14,17)
InChIKeyFWXSTJVROLOCIN-UHFFFAOYSA-N
XLogP0.41
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one with MolForge

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Related Compounds

4-amino-1-[(2S,3S)-4-amino-2-fluoro-3-hydroxy-2-(hydroxymethyl)-3H-furan-5-yl]pyrimidin-2-one
CID 90254350
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CID 142192946
4-amino-1-[(2R,4R,5S)-4,5-bis(hydroxymethyl)-4-methyloxolan-2-yl]pyrimidin-2-one
CID 25062015
4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2,3-dimethyloxolan-2-yl]pyrimidin-2-one
CID 66824648
CID 156588422
CID 156588422
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CID 143278150
4-amino-1-naphthalen-1-ylpyrimidin-2-one
CID 11701450
4-amino-1-[(2R,3R,4S,5R)-3-amino-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 66576269
4-amino-1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 100972802
4-amino-1-[(2R,5S)-2-(hydroxymethyl)-5-methyl-1,3-oxathiolan-5-yl]pyrimidin-2-one
CID 118718719
4-amino-1-[5-(2-hydroxy-1-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrimidin-2-one
CID 146237726
4-amino-1-[4-[[(4-amino-1-bicyclo[2.2.2]octanyl)amino]methyl]phenyl]pyrimidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one (CID 142604168) is 4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one is CC1(C)Oc2c(CO)oc(-n3ccc(N)nc3=O)c2O1.
What is the InChIKey of 4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one?
The InChIKey is FWXSTJVROLOCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c1-12(2)19-8-6(5-16)18-10(9(8)20-12)15-4-3-7(13)14-11(15)17/h3-4,16H,5H2,1-2H3,(H2,13,14,17).
What are the key properties of 4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one?
4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one has a molecular weight of 279.25 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[6-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-yl]pyrimidin-2-one is sourced from PubChem (CID 142604168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).