chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

C12H22ClN3O4 — CID 169252416

IUPACchloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCC.CCl.O=c1nc(NO)ccn1C1CCC(CO)O1
InChIInChI=1S/C9H13N3O4.C2H6.CH3Cl/c13-5-6-1-2-8(16-6)12-4-3-7(11-15)10-9(12)14;2*1-2/h3-4,6,8,13,15H,1-2,5H2,(H,10,11,14);1-2H3;1H3
InChIKeyDYTGYVKRDQWORA-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.60
Rot. Bonds3

About chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 169252416) has the molecular formula C12H22ClN3O4 and a molecular weight of 307.78 g/mol. Its IUPAC name is chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Namechloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID169252416
Molecular FormulaC12H22ClN3O4
Molecular Weight307.78 g/mol
Exact Mass307.13
IUPAC Namechloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCC.CCl.O=c1nc(NO)ccn1C1CCC(CO)O1
InChIInChI=1S/C9H13N3O4.C2H6.CH3Cl/c13-5-6-1-2-8(16-6)12-4-3-7(11-15)10-9(12)14;2*1-2/h3-4,6,8,13,15H,1-2,5H2,(H,10,11,14);1-2H3;1H3
InChIKeyDYTGYVKRDQWORA-UHFFFAOYSA-N
XLogP1.60
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 142604179
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
N-[1-[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
CID 678698
4-(dimethylamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 169201542
[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-amino-3-hydroxybutanoate;methanol
CID 156825372
benzyl N-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 10665195
ethane;1-[(2R)-5-(hydroxymethyl)oxolan-2-yl]-4-[1-(2-nitrophenyl)ethylamino]pyrimidin-2-one;methanol
CID 178171551
1-[(2S,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
CID 56624884
[5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,6-diaminohexanoate
CID 142604126
4-ethynoxy-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;fluoromethane
CID 167445812
N'-[1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-N,N-dimethylmethanimidamide
CID 19821113
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(hydroxyamino)pyrimidin-2-one
CID 59035000

Frequently Asked Questions

What is the IUPAC name of chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 169252416) is chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is CC.CCl.O=c1nc(NO)ccn1C1CCC(CO)O1.
What is the InChIKey of chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is DYTGYVKRDQWORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4.C2H6.CH3Cl/c13-5-6-1-2-8(16-6)12-4-3-7(11-15)10-9(12)14;2*1-2/h3-4,6,8,13,15H,1-2,5H2,(H,10,11,14);1-2H3;1H3.
What are the key properties of chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one?
chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 307.78 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;ethane;4-(hydroxyamino)-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 169252416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).