(2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone

C19H17N3O2 — CID 178012653

IUPAC(2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccc(C(=O)c2c(C3CC3)nc3ncccn23)cc1
InChIInChI=1S/C19H17N3O2/c1-2-12-24-15-8-6-14(7-9-15)18(23)17-16(13-4-5-13)21-19-20-10-3-11-22(17)19/h2-3,6-11,13H,1,4-5,12H2
InChIKeySELWWXDMRZWIFX-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.40
Rot. Bonds6

About (2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone

(2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone (PubChem CID 178012653) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone.

Molecular Properties

Compound Name(2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone
PubChem CID178012653
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone
SMILESC=CCOc1ccc(C(=O)c2c(C3CC3)nc3ncccn23)cc1
InChIInChI=1S/C19H17N3O2/c1-2-12-24-15-8-6-14(7-9-15)18(23)17-16(13-4-5-13)21-19-20-10-3-11-22(17)19/h2-3,6-11,13H,1,4-5,12H2
InChIKeySELWWXDMRZWIFX-UHFFFAOYSA-N
XLogP3.40
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzene;4-prop-2-enoxybenzoic acid
CID 174857047
imidazo[1,2-a]pyrimidin-3-yl(naphthalen-2-yl)methanone
CID 4611263
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888
[4-(methylaminomethyl)piperidin-1-yl]-(4-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119546206
N-(4-aminocyclohexyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119478238
prop-2-enoic acid;prop-2-enoxybenzene
CID 174376278
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
2-(4-benzoylphenoxy)acetaldehyde
CID 62028951
(3-hydroxy-3-methylpyrrolidin-1-yl)-(4-prop-2-enoxyphenyl)methanone
CID 103727180
(4-prop-2-enoxyphenyl)-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 110234085
N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide
CID 55570164
N-cyclopentyloxy-4-prop-2-enoxybenzamide
CID 83202037

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone?
The IUPAC name of (2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone (CID 178012653) is (2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone.
What is the SMILES notation for (2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone?
The canonical SMILES for (2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone is C=CCOc1ccc(C(=O)c2c(C3CC3)nc3ncccn23)cc1.
What is the InChIKey of (2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone?
The InChIKey is SELWWXDMRZWIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-2-12-24-15-8-6-14(7-9-15)18(23)17-16(13-4-5-13)21-19-20-10-3-11-22(17)19/h2-3,6-11,13H,1,4-5,12H2.
What are the key properties of (2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone?
(2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone has a molecular weight of 319.36 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylimidazo[1,2-a]pyrimidin-3-yl)-(4-prop-2-enoxyphenyl)methanone is sourced from PubChem (CID 178012653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).