2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one

C9H14N2O4 — CID 136842569

IUPAC2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one
SMILESCOCCOCc1cc(=O)[nH]c(CO)n1
InChIInChI=1S/C9H14N2O4/c1-14-2-3-15-6-7-4-9(13)11-8(5-12)10-7/h4,12H,2-3,5-6H2,1H3,(H,10,11,13)
InChIKeyARHGCPXLKRTRBW-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.57
Rot. Bonds6

About 2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one

2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136842569) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one
PubChem CID136842569
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one
SMILESCOCCOCc1cc(=O)[nH]c(CO)n1
InChIInChI=1S/C9H14N2O4/c1-14-2-3-15-6-7-4-9(13)11-8(5-12)10-7/h4,12H,2-3,5-6H2,1H3,(H,10,11,13)
InChIKeyARHGCPXLKRTRBW-UHFFFAOYSA-N
XLogP-0.57
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyethoxymethyl)-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
CID 146081610
N-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-6-oxo-1H-pyrimidin-2-yl]imidazole-1-carboxamide
CID 135733648
2-(2-methoxyethyl)-4-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 136678766
4-(aminomethyl)-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 135978360
4-ethyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973719
4-(cyclohexyloxymethyl)-2-(hydroxymethyl)-1H-pyrimidin-6-one
CID 136842575
2-[(dimethylamino)methyl]-4-(hydroxymethyl)-1H-pyrimidin-6-one
CID 137272501
4-(methoxymethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 135506238
4-butyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136805677
2-(2-hydroxyethylamino)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 135631209
2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one
CID 136745753
2-(1-methoxypropan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136930623

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one (CID 136842569) is 2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one is COCCOCc1cc(=O)[nH]c(CO)n1.
What is the InChIKey of 2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is ARHGCPXLKRTRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-14-2-3-15-6-7-4-9(13)11-8(5-12)10-7/h4,12H,2-3,5-6H2,1H3,(H,10,11,13).
What are the key properties of 2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one?
2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 214.22 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-(2-methoxyethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136842569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).