5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one

C7H11N3O3 — CID 103240661

IUPAC5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
SMILESCOCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H11N3O3/c1-12-2-3-13-7-5(8)6(11)9-4-10-7/h4H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyBCLQXUHPMQCNGS-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.62
Rot. Bonds4

About 5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one

5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103240661) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
PubChem CID103240661
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one
SMILESCOCCOc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H11N3O3/c1-12-2-3-13-7-5(8)6(11)9-4-10-7/h4H,2-3,8H2,1H3,(H,9,10,11)
InChIKeyBCLQXUHPMQCNGS-UHFFFAOYSA-N
XLogP-0.62
TPSA90.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.62
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

5-amino-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240400
5-amino-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240543
5-amino-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241782
5-amino-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 103241900
5-amino-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241910
5-amino-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241923
5-amino-4-(2-methylprop-1-enoxy)-1H-pyrimidin-6-one
CID 167252825
5-Amino-6-ethoxypyrimidin-4-ol
CID 19152432
5-Amino-6-(propan-2-yloxy)pyrimidin-4-ol
CID 19152493
5-Amino-6-methoxypyrimidin-4-OL
CID 80139245
5-Amino-6-propoxypyrimidin-4-ol
CID 80141728
5-amino-4-(2-butoxyethoxy)-1H-pyrimidin-6-one
CID 103240430

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one (CID 103240661) is 5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one is COCCOc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is BCLQXUHPMQCNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-12-2-3-13-7-5(8)6(11)9-4-10-7/h4H,2-3,8H2,1H3,(H,9,10,11).
What are the key properties of 5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one?
5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 185.18 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-methoxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).