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

C9H15N3O2 — CID 136955869

IUPAC4-(2-ethoxyethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCOCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H15N3O2/c1-3-14-5-4-10-8-6-9(13)12-7(2)11-8/h6H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyOGNLNSJFEMTVKP-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.53
Rot. Bonds5

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

4-(2-ethoxyethylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136955869) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(2-ethoxyethylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-ethoxyethylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136955869
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(2-ethoxyethylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCCOCCNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C9H15N3O2/c1-3-14-5-4-10-8-6-9(13)12-7(2)11-8/h6H,3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeyOGNLNSJFEMTVKP-UHFFFAOYSA-N
XLogP0.53
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.53
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
6-Amino-2-methyl-3-(2-propoxyethyl)pyrimidin-4-one
CID 59073654
2-(Ethoxymethyl)pyrimidin-4-ol
CID 65667549
2,3-Dimethyl-6-morpholin-4-ylpyrimidin-4-one
CID 123808604
6-amino-2-(ethoxymethyl)-4(3H)-pyrimidinone
CID 135456622
4-Hydroxy-2-methyl-6-morpholinopyrimidine
CID 135592113

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-ethoxyethylamino)-2-methyl-1H-pyrimidin-6-one (CID 136955869) is 4-(2-ethoxyethylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-ethoxyethylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-ethoxyethylamino)-2-methyl-1H-pyrimidin-6-one is CCOCCNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-(2-ethoxyethylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is OGNLNSJFEMTVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-14-5-4-10-8-6-9(13)12-7(2)11-8/h6H,3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-(2-ethoxyethylamino)-2-methyl-1H-pyrimidin-6-one?
4-(2-ethoxyethylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).