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

C13H15N3O2 — CID 114578659

IUPAC4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(Oc2cc(N)ccc2C)cc(=O)[nH]1
InChIInChI=1S/C13H15N3O2/c1-3-11-15-12(17)7-13(16-11)18-10-6-9(14)5-4-8(10)2/h4-7H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyMTPNTPYXFPSHIT-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.02
Rot. Bonds3

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

4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 114578659) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one
PubChem CID114578659
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(Oc2cc(N)ccc2C)cc(=O)[nH]1
InChIInChI=1S/C13H15N3O2/c1-3-11-15-12(17)7-13(16-11)18-10-6-9(14)5-4-8(10)2/h4-7H,3,14H2,1-2H3,(H,15,16,17)
InChIKeyMTPNTPYXFPSHIT-UHFFFAOYSA-N
XLogP2.02
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one
CID 114578805
2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one
CID 103241071
2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241192
4-methyl-3-(2-methylpyrimidin-4-yl)oxyaniline
CID 62770055
4-(cyclopropylmethoxy)-2-ethyl-1H-pyrimidin-6-one
CID 103240776
4-(5-amino-2-bromophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103011768
4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114578883
4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one
CID 103240860
4-(2-amino-2-methylbutoxy)-2-ethyl-1H-pyrimidin-6-one
CID 114586487
4-(5-amino-1,3-dihydroisoindol-2-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136979446
4-(4-amino-2-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578645
4-methyl-3-pyridazin-3-yloxyaniline
CID 62482845

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one (CID 114578659) is 4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one is CCc1nc(Oc2cc(N)ccc2C)cc(=O)[nH]1.
What is the InChIKey of 4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is MTPNTPYXFPSHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-11-15-12(17)7-13(16-11)18-10-6-9(14)5-4-8(10)2/h4-7H,3,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one?
4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 245.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114578659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).