(E)-3-(dimethylamino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one

C15H15N3O2 — CID 1484634

IUPAC(E)-3-(dimethylamino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C15H15N3O2/c1-18(2)11-8-14(19)12-4-6-13(7-5-12)20-15-16-9-3-10-17-15/h3-11H,1-2H3/b11-8+
InChIKeyPOUFCTIUPAXZJZ-DHZHZOJOSA-N
MW269.30 g/mol
LogP2.53
Rot. Bonds5

About (E)-3-(dimethylamino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one

(E)-3-(dimethylamino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one (PubChem CID 1484634) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one
PubChem CID1484634
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name(E)-3-(dimethylamino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one
SMILESCN(C)/C=C/C(=O)c1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C15H15N3O2/c1-18(2)11-8-14(19)12-4-6-13(7-5-12)20-15-16-9-3-10-17-15/h3-11H,1-2H3/b11-8+
InChIKeyPOUFCTIUPAXZJZ-DHZHZOJOSA-N
XLogP2.53
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(dimethylamino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one (CID 1484634) is (E)-3-(dimethylamino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(dimethylamino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(dimethylamino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one is CN(C)/C=C/C(=O)c1ccc(Oc2ncccn2)cc1.
What is the InChIKey of (E)-3-(dimethylamino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one?
The InChIKey is POUFCTIUPAXZJZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18(2)11-8-14(19)12-4-6-13(7-5-12)20-15-16-9-3-10-17-15/h3-11H,1-2H3/b11-8+.
What are the key properties of (E)-3-(dimethylamino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one?
(E)-3-(dimethylamino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one has a molecular weight of 269.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-1-(4-pyrimidin-2-yloxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 1484634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).