4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one

C8H13N3O2 — CID 136955887

IUPAC4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCOCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C8H13N3O2/c1-6-10-7(5-8(12)11-6)9-3-4-13-2/h5H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyZZBMRMWHDNTISF-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.14
Rot. Bonds4

About 4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one

4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136955887) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136955887
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCOCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C8H13N3O2/c1-6-10-7(5-8(12)11-6)9-3-4-13-2/h5H,3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyZZBMRMWHDNTISF-UHFFFAOYSA-N
XLogP0.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2,2-difluoroethoxy)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 136896828
4-[2-(2,2-difluoroethoxy)ethylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136896836
2-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956679
2-ethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975762
2-propan-2-yl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136975765
4-[2-(2,2-difluoroethoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136999737
4-(2,2-difluoropropylamino)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 167804464
2-(Methoxymethyl)pyrimidin-4(1H)-one
CID 14306129
6-Amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 59073654
6-amino-2-(ethoxymethyl)-4(3H)-pyrimidinone
CID 135456622
4-Hydroxy-2-methyl-6-morpholinopyrimidine
CID 135592113
4-(ethylamino)-2-methyl-1H-pyrimidin-6-one
CID 136117232

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one (CID 136955887) is 4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one is COCCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ZZBMRMWHDNTISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6-10-7(5-8(12)11-6)9-3-4-13-2/h5H,3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one?
4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).