[2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride

C8H15ClN4O2 — CID 177055083

IUPAC[2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride
SMILESCOCCNc1nc(C[NH3+])cc(=O)[nH]1.[Cl-]
InChIInChI=1S/C8H14N4O2.ClH/c1-14-3-2-10-8-11-6(5-9)4-7(13)12-8;/h4H,2-3,5,9H2,1H3,(H2,10,11,12,13);1H
InChIKeyDAQRHSCSBDNJLA-UHFFFAOYSA-N
MW234.69 g/mol
LogP-4.43
Rot. Bonds5

About [2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride

[2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride (PubChem CID 177055083) has the molecular formula C8H15ClN4O2 and a molecular weight of 234.69 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride
PubChem CID177055083
Molecular FormulaC8H15ClN4O2
Molecular Weight234.69 g/mol
Exact Mass234.09
IUPAC Name[2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride
SMILESCOCCNc1nc(C[NH3+])cc(=O)[nH]1.[Cl-]
InChIInChI=1S/C8H14N4O2.ClH/c1-14-3-2-10-8-11-6(5-9)4-7(13)12-8;/h4H,2-3,5,9H2,1H3,(H2,10,11,12,13);1H
InChIKeyDAQRHSCSBDNJLA-UHFFFAOYSA-N
XLogP-4.43
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 5-4.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride?
The IUPAC name of [2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride (CID 177055083) is [2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride.
What is the SMILES notation for [2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride?
The canonical SMILES for [2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride is COCCNc1nc(C[NH3+])cc(=O)[nH]1.[Cl-].
What is the InChIKey of [2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride?
The InChIKey is DAQRHSCSBDNJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2.ClH/c1-14-3-2-10-8-11-6(5-9)4-7(13)12-8;/h4H,2-3,5,9H2,1H3,(H2,10,11,12,13);1H.
What are the key properties of [2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride?
[2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride has a molecular weight of 234.69 g/mol, XLogP of -4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-6-oxo-1H-pyrimidin-4-yl]methylazanium chloride is sourced from PubChem (CID 177055083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).