(7-methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

C18H17N3O2 — CID 13301034

IUPAC(7-methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESC=CCc1c(OC)nc2nc(C(=O)c3ccccc3)cn2c1C
InChIInChI=1S/C18H17N3O2/c1-4-8-14-12(2)21-11-15(19-18(21)20-17(14)23-3)16(22)13-9-6-5-7-10-13/h4-7,9-11H,1,8H2,2-3H3
InChIKeySKCGMFQKAABNNT-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.01
Rot. Bonds5

About (7-methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone

(7-methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (PubChem CID 13301034) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (7-methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(7-methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
PubChem CID13301034
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(7-methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
SMILESC=CCc1c(OC)nc2nc(C(=O)c3ccccc3)cn2c1C
InChIInChI=1S/C18H17N3O2/c1-4-8-14-12(2)21-11-15(19-18(21)20-17(14)23-3)16(22)13-9-6-5-7-10-13/h4-7,9-11H,1,8H2,2-3H3
InChIKeySKCGMFQKAABNNT-UHFFFAOYSA-N
XLogP3.01
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The IUPAC name of (7-methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone (CID 13301034) is (7-methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone.
What is the SMILES notation for (7-methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The canonical SMILES for (7-methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is C=CCc1c(OC)nc2nc(C(=O)c3ccccc3)cn2c1C.
What is the InChIKey of (7-methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
The InChIKey is SKCGMFQKAABNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-4-8-14-12(2)21-11-15(19-18(21)20-17(14)23-3)16(22)13-9-6-5-7-10-13/h4-7,9-11H,1,8H2,2-3H3.
What are the key properties of (7-methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone?
(7-methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone has a molecular weight of 307.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-5-methyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone is sourced from PubChem (CID 13301034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).