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

C12H21N3O4 — CID 169201542

IUPAC4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
SMILESCN(C)c1ccn(C2CCC(CO)O2)c(=O)n1.CO
InChIInChI=1S/C11H17N3O3.CH4O/c1-13(2)9-5-6-14(11(16)12-9)10-4-3-8(7-15)17-10;1-2/h5-6,8,10,15H,3-4,7H2,1-2H3;2H,1H3
InChIKeyYIFCFHIXHKMNJE-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.41
Rot. Bonds3

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

4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol (PubChem CID 169201542) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol.

Molecular Properties

Compound Name4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
PubChem CID169201542
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
SMILESCN(C)c1ccn(C2CCC(CO)O2)c(=O)n1.CO
InChIInChI=1S/C11H17N3O3.CH4O/c1-13(2)9-5-6-14(11(16)12-9)10-4-3-8(7-15)17-10;1-2/h5-6,8,10,15H,3-4,7H2,1-2H3;2H,1H3
InChIKeyYIFCFHIXHKMNJE-UHFFFAOYSA-N
XLogP-0.41
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
N'-[1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
CID 19821113
chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 169252416
4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane
CID 167445812
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;methanol
CID 178082525
4-(dimethylamino)-1-[(2R,4R,5R)-4-hydroxy-5-(tritiomethyl)oxolan-2-yl]pyrimidin-2-one
CID 121479666
N-[1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 678698
1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 70367080
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
2-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]isoquinolin-1-one
CID 163685112

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol?
The IUPAC name of 4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol (CID 169201542) is 4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol.
What is the SMILES notation for 4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol?
The canonical SMILES for 4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol is CN(C)c1ccn(C2CCC(CO)O2)c(=O)n1.CO.
What is the InChIKey of 4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol?
The InChIKey is YIFCFHIXHKMNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3.CH4O/c1-13(2)9-5-6-14(11(16)12-9)10-4-3-8(7-15)17-10;1-2/h5-6,8,10,15H,3-4,7H2,1-2H3;2H,1H3.
What are the key properties of 4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol?
4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol has a molecular weight of 271.32 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol is sourced from PubChem (CID 169201542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).