4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol

C10H17N3O4 — CID 142192944

IUPAC4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
SMILESCO.Nc1ccn(C2CCC(CO)O2)c(=O)n1
InChIInChI=1S/C9H13N3O3.CH4O/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8;1-2/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14);2H,1H3
InChIKeySTAAFCOYDHGLHB-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.90
Rot. Bonds2

About 4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol

4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol (PubChem CID 142192944) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol.

Molecular Properties

Compound Name4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
PubChem CID142192944
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
SMILESCO.Nc1ccn(C2CCC(CO)O2)c(=O)n1
InChIInChI=1S/C9H13N3O3.CH4O/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8;1-2/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14);2H,1H3
InChIKeySTAAFCOYDHGLHB-UHFFFAOYSA-N
XLogP-0.90
TPSA110.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 166811766
4-amino-1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidin-2-one
CID 23261046
4-amino-1-[(2R,5S)-5-(iodomethyl)oxolan-2-yl]pyrimidin-2-one
CID 124518306
4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174252906
4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 169201542
4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one
CID 142117937
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate
CID 130458181
chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 169252416
4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70382786
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]oxymethylphosphonic acid
CID 24763733
4-amino-1-[5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 71344855

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol?
The IUPAC name of 4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol (CID 142192944) is 4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol.
What is the SMILES notation for 4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol?
The canonical SMILES for 4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol is CO.Nc1ccn(C2CCC(CO)O2)c(=O)n1.
What is the InChIKey of 4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol?
The InChIKey is STAAFCOYDHGLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3.CH4O/c10-7-3-4-12(9(14)11-7)8-2-1-6(5-13)15-8;1-2/h3-4,6,8,13H,1-2,5H2,(H2,10,11,14);2H,1H3.
What are the key properties of 4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol?
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol has a molecular weight of 243.26 g/mol, XLogP of -0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol is sourced from PubChem (CID 142192944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).