4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one

C15H17N3O2 — CID 114578805

IUPAC4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one
SMILESC=CCc1cc(N)ccc1Oc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C15H17N3O2/c1-3-5-10-8-11(16)6-7-12(10)20-15-9-14(19)17-13(4-2)18-15/h3,6-9H,1,4-5,16H2,2H3,(H,17,18,19)
InChIKeySLVDPGJMFAWKSU-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.44
Rot. Bonds5

About 4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one

4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 114578805) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one
PubChem CID114578805
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one
SMILESC=CCc1cc(N)ccc1Oc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C15H17N3O2/c1-3-5-10-8-11(16)6-7-12(10)20-15-9-14(19)17-13(4-2)18-15/h3,6-9H,1,4-5,16H2,2H3,(H,17,18,19)
InChIKeySLVDPGJMFAWKSU-UHFFFAOYSA-N
XLogP2.44
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one (CID 114578805) is 4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one is C=CCc1cc(N)ccc1Oc1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is SLVDPGJMFAWKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-5-10-8-11(16)6-7-12(10)20-15-9-14(19)17-13(4-2)18-15/h3,6-9H,1,4-5,16H2,2H3,(H,17,18,19).
What are the key properties of 4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one?
4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 271.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 114578805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).